Ligand id: 3431

Name: AHPN

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 57.53
Molecular weight 398.19
XLogP 8.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Charpentier B, Bernardon JM, Eustache J, Millois C, Martin B, Michel S, Shroot B. (1995)
Synthesis, structure-affinity relationships, and biological activities of ligands binding to retinoic acid receptor subtypes.
J. Med. Chem., 38 (26): 4993-5006. [PMID:8544175]