Ligand id: 4768

Name: aminobenzovesamicol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 26.71
Molecular weight 476.13
XLogP 6.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Efange SM, Mach RH, Smith CR, Khare AB, Foulon C, Akella SK, Childers SR, Parsons SM. (1995)
Vesamicol analogues as sigma ligands. Molecular determinants of selectivity at the vesamicol receptor.
Biochem. Pharmacol., 49 (6): 791-7. [PMID:7702637]