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19.5 Edit Ligand
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To edit a ligand:

About the modifiers tabel

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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