ChemSketch

ChemSketch is a chemically intelligent drawing interface that allows you to draw almost any chemical structure including organics, organometallics, polymers, and Markush structures.



Use it to produce professional-looking structures and diagrams for reports and publications. An awesome chemical drawing software for your desktop or laptop computer!

ChemSketch is a powerful and versatile chemical drawing and molecular modeling software developed by ACD/Labs. It is designed for chemists, educators, and students who need a tool to create and analyze chemical structures, reactions, and properties.

Whether you're a professional chemist working in a laboratory or a student learning the basics of chemistry, it provides a user-friendly platform for visualizing and studying chemical compounds.



ACD/ChemSketch Freeware is a drawing package that allows you to draw chemical structures including organics, organometallics, polymers, and Markush structures.

It also includes features such as calculation of molecular properties (e.g., molecular weight, density, molar refractivity etc.), 2D and 3D structure cleaning and viewing, functionality for naming structures (fewer than 50 atoms and 3 rings), and prediction of logP.

See It In Action

• Draw structures, reactions, and schema (e.g., biotransformation maps)
• Generate IUPAC systematic names for molecules of up to 50 atoms and 3 ring structures
• Predict molecular properties for individual structures (molecular weight, formula weight, density, logP
• Search for structures in the built-in dictionary of over 170,000 systematic, trivial, and trade names
• Create professional reports, working with structures, text, and graphics simultaneously
• Import and export structure files in a variety of standard file formats

Highlights

• Click and drag between two atoms to quickly create bonds
• Create chemical structures from InChI and SMILES codes
• Draw Markush structures (generic view), structures with delocalization, and polymers
• Create special Markush structures with added or removed mass or fragments, to describe metabolic and mass-spectral transformations
• Depict reactions by drawing, importing, mapping atom-atom transformation, and editing reaction conditions
• Adjust the position of Hydrogens near each atom
• Apply powerful 3D and 2D rotation, and move/resize features
• Create 3D models from 2D structures with the geometry optimization button
• Search for chemical structures in various file formats throughout your computer's file systems. (SK2; MOL; SDF; SKC; CHM; CDX; RXN; Adobe PDF; Microsoft Office DOC, XLS, PPT; and ACD/Labs databases CUD, HUD, CFD, NDB, ND5, INT)
• Search Microsoft Word documents with structures created in ChemDraw or Accelrys ISIS
• Search using full or partial structures
• Choose from a wide range of special bond types including aromatic, delocalized, undefined single and double stereo, quadruple, and coordination bonds
• Automatically assign hydrogen atoms and charges to fill the valence
• Instantly display chemical formula, molecular weight, percentage composition, and estimated macroscopic properties such as molar refractivity, refractive index, molar volume, density, and parachor
• Look up elements on the Expanded Periodic Table of Elements which includes physical properties, NMR properties, isotope composition, and images of elements in their natural form
• Draw reactions and complex chemical schemes with manual or automatic mapping
• Calculate quantities for chemical reactions and solutions
• View all the suggested tautomeric forms for your structure
• Create professional chemistry-related reports and presentations
• Export your Chem Sketch files to Adobe Acrobat PDF format
• Cut- and-paste structures and chemical information directly into Windows applications and maintain OLE links
• Convert your work into HTML
• Create templates for generating reports from other ACD/Labs products, defined by rules or company standards
• Customize toolbars
• Customize display properties such as atom numbering, chemical symbols, and valence
• Send SK2 files or PDF documents as an e-mail attachment directly from the ACD/interface
• Work with structures, text, and graphics simultaneously
• Save and load object styles

Key Features

Chemical Structure Drawing: It allows users to draw chemical structures with ease, including organic, inorganic, and organometallic compounds. The intuitive drawing tools make it accessible for users of all skill levels.

Molecular Modeling: Users can create 3D molecular models, helping to visualize the spatial arrangement of atoms and bonds, which is crucial for understanding molecular interactions and properties.

Chemical Properties Prediction: The software can predict various chemical properties, such as molecular weight, boiling point, melting point, and more, making it a valuable tool for researchers and educators.



Spectral Analysis: It offers tools for analyzing NMR (nuclear magnetic resonance) and IR (infrared) spectra, aiding in the identification and characterization of chemical compounds.

Reaction Mechanism Drawing: It allows users to sketch reaction mechanisms and visualize the step-by-step processes involved in chemical reactions.

Database Integration: It can connect to chemical databases, helping users access extensive libraries of chemical structures and information

User Interface

It boasts an intuitive and user-friendly interface. The main workspace consists of a drawing area, where you can create chemical structures by dragging and dropping elements, bonds, and functional groups.

The toolbar provides quick access to various drawing tools, and the menu bar offers comprehensive options for structuring and analyzing chemical compounds.



The software's interface is well-organized, making it easy to navigate, even for beginners. The layout is clean and free from clutter, ensuring that users can focus on their chemical tasks without distractions.

Installation and Setup

Installing the program is a straightforward process. You can download the software from the official ACD/Labs website or other trusted sources like FileHorse. Once downloaded, follow the installation wizard's instructions, and the software will be ready to use within minutes.

During installation, you may be prompted to choose specific components or features to install. This flexibility allows you to customize the app according to your needs, ensuring that you don't install unnecessary components.

How to Use



Drawing Chemical Structures:

Use the toolbar to select elements, bonds, and functional groups.
Click and drag elements onto the drawing area to create a molecule.
Connect atoms by clicking and dragging the cursor to create bonds.

3D Molecular Modeling:

After drawing a structure, go to the "View" menu and select "3D View."
Manipulate the 3D model using the mouse to view it from different angles.

Chemical Property Prediction:

Enter the chemical structure.
Go to the "Calculate" menu and select the property you want to predict, such as molecular weight or boiling point.

Spectral Analysis:

Import NMR or IR spectra data.
Use the analysis tools to interpret the spectra and identify compounds.

Reaction Mechanism Drawing:

Use the reaction arrow tool to sketch reaction mechanisms step by step.

What`s new in version 2023/2024

• Create molecular representations, including organic compounds, organometallics, biomolecules, polymers, and both 2D and 3D structures.
• Customize chemical structures by editing bond types, stereo configurations, atom types, charges, radical labels, atom numbering, and more.
• Draw reactions and intricate chemical diagrams, including biotransformation maps.
• Annotate reaction arrows with specific experimental conditions.
• Establish atom-to-atom mappings between reactants and products in chemical schemes.
• Insert pre-designed templates for amino acids, aromatic compounds, carbohydrates, steroids, sugars, and more.
• Utilize graphical templates to include objects like molecular orbitals, Lewis structures, Newman projections, laboratory equipment, and others.
• Generate structures from InChI or SMILES strings, or simply copy and paste from ChemDraw.
• Access a dictionary with over 170,000 systematic, trivial, and trade names for chemical compounds.
• Generate suggested tautomeric forms of your drawn chemical structures.
• Generate all possible structures based on a given Markush representation.
• Create optimized 3D models from 2D structures.
• Import and export structure files in various standard formats.
• Generate comprehensive reports summarizing chemical information.
• Embed chemical structures, diagrams, and other data directly into Microsoft Word and PowerPoint documents or any OLE-supported application.
• Produce publication-ready figures suitable for popular journals like ACS, RSC, Helvetica, and others.
• Automatically name molecular structures following IUPAC rules.
• Search for files by chemical structure in ACD/Labs, FASTA, HELM, ChemDraw, BIOVIA, Adobe, and Microsoft® Word, Excel, and PowerPoint formats.
• Search for structures in EPA iCSS, PubChem, and eMolecules databases.

ACD/Labs Launches Percepta® v2024 to Enhance Pharmaceutical and Chemical R&D at the PhysChem Forum

The latest release of Percepta, version 2024, introduces significant enhancements to its training sets and algorithms, resulting in improved prediction accuracy for pKa and logP calculators, as well as various ADME and toxicity endpoints.

This update also extends the platform’s chemical space coverage, accommodating innovative therapeutic modalities such as proteolysis-targeting chimeras (PROTACs).

FAQ

Is ChemSketch available for free?
Yes, it offers a free version with a wide range of features. However, there are also paid versions with additional capabilities.

Can I use ChemSketch on Mac or Linux?
ChemSketch is primarily designed for Windows but can be run on Mac and Linux through compatibility layers like Wine or virtualization software.

Is there a ChemSketch mobile app?
Unfortunately, there is no official mobile app for ChemSketch at the moment.

Can ChemSketch predict the toxicity of chemical compounds?
It can predict certain properties, but it may not provide specific toxicity predictions. Toxicity prediction often requires more specialized software.

How do I access chemical databases within ChemSketch?
You can connect to chemical databases from the "Database" menu within the app. Some databases may require a subscription or access credentials.

Pricing

It offers multiple pricing tiers, including a free version and paid versions with additional features. The exact pricing may vary depending on your location and the specific features you require. It's advisable to visit the ACD/Labs website for up-to-date pricing information.

30 Day Free Trial – $0.00

• Software License (1 year maintenance included) – $799.00
• Software License (2 years maintenance included) – $909.00
• Software License (3 years maintenance included) – $999.00
• Subscription License (Maintenance included, billed annually until cancelled) – $320.00

System Requirements

• Operating System: Windows 7 or later
• Processor: 2 GHz or faster
• RAM: 2 GB (4 GB recommended)
• Hard Drive Space: 40 GB of free disk space
• Internet Connection: Required for database access and updates

PROS

• User-friendly interface suitable for beginners and professionals.
• Comprehensive set of chemical drawing and modeling tools.
• 3D molecular modeling capability.
• Property prediction and spectral analysis features.
• Database integration for easy access to chemical information.
• Free version available.

CONS

• Primarily designed for Windows, limited native support for Mac and Linux.
• Some advanced features are only available in paid versions.
• Mobile app not available.

Conclusion

ChemSketch is a versatile and user-friendly software that caters to the needs of chemists, educators, and students alike. With its intuitive interface and a wide range of features, it simplifies the process of drawing chemical structures, predicting properties, and analyzing spectra.

While it may have some limitations, such as limited support for non-Windows platforms and advanced features locked behind a paywall, its free version still offers a robust set of tools that can significantly enhance your chemistry-related work.

Whether you're a novice or an experienced chemist, ChemSketch is a valuable addition to your toolbox, making the world of chemistry more accessible and engaging.

Note: 30 days trial version.