Ligand id: 4759

Name: vesamicol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 23.47
Molecular weight 259.19
XLogP 2.89
No. Lipinski's rules broken 0

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]