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propertycalculator

Property calculator

  • Create a physicochemical property profile for your compound in a second
  • Reject compounds with unsuitable logP, insufficient number of H-bond acceptors/donors, too many rotatable bonds, etc.
  • Prioritize compounds with highest ligand efficiency (low number of heavy atoms and logP)
propertycalculator.txt · Last modified: 2013/01/13 14:31 by flack