ACD/ChemSketch

Full List of Features

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 Accelrys 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