May 17 2013
To edit a ligand:
About the modifiers table
mol = 2D sketch of ligand with core substructure highlighted in green. Modifier group is not highlighted in green.
L = Click in box to display ligand with modifier group.
smiles = smiles string of modifier group
SubstScore = Score for modifier group only
Score = Score of whole ligand including modifier group
MolLogP = Predicted LogP
MolLogS = Predicted LogPredicted LogSS
MoldHf = Preidction model build for 'delta Hf in gas' property. using public NIST database. Description can be found: http://webbook.nist.gov A low dHf value means that the compound is more 'stable'.
MolPSA = Polar Surface Area
Volume = Volume of ligand.
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