Small Molecule Tools

  • 2D to 3D small molecule conversion
  • Provides low energy conformers of drug-like molecules
  • Detects and enforces stereochemistry

  • Easy access to fast, accurate partial atomic charges of drug-like molecules
  • Valuable in a wide range of of modeling and QSAR applications

  • Easy to use 2D chemical drawing program
  • Valence and stereochemistry aware
  • 1-Click interface with 2D to 3D conversion and conformational searching

  • Superimpose congeneric ligand series on a reference structure
  • Reference can be co-crystalized ligand PDB
  • Handles arbitrary atom orderings

  • Analyzes ensembles of molecular conformations and removes repeats
  • Takes into account local and global molecular symmetries
  • Symmetry detection recognizes resonance forms

  • Provides symmetry-corrected RMSD between molecular conformers
  • Option to superimpose all conformers on a chosen reference first

  • Freely available 3D molecular viewer
  • Reads SDF files produced by VConf and VCharge displaying results
  • Can label stereocenters

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VM2
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VConf
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VDraw
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VMap
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VCharge
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VFilter
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Vrms
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VDisplay