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.
Benefits :
- Visualize chemical structures in 2D or 3D to gain more insight into spatial configurations, and relationships to molecular properties.
- Create professional reports, working with structures, text, and graphics simultaneously.
- ACD/ChemSketch also allows you to check other tautomeric forms for your drawn structure. Consideration of tautomeric forms is very important for structure searching, predictions (such as physicochemical properties, i.e., pKa), and interpretation (i.e., of NMR, MS, and other analytical data).
Features of ChemSketch :
| Features | Description |
|---|---|
| Drawing | * 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 |
| Structure Searching | * 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 Symyx (MDL) ISIS * Search using full or partial structures |
| Chemistry | * 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 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 |
| Reporting | * Create professional chemistry-related reports and presentations * Export your ChemSketch 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 |
| Convenient Interface Design | * Customize toolbars * Customize display properties such as atom numbering, chemical symbols, and valence * Send ChemSketch SK2 files or PDF documents as an e-mail attachment directly from the ACD/ChemSketch interface * Work with structures, text, and graphics simultaneously * Save and load object styles |
For more informations, have a look at ACD/ChemSketch
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