Ligand id: 3415

Name: [3H]CGS23131    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 110.13
Molecular weight 502.2
XLogP 7.32
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Jackson RH, Morrissey MM, Sills MA, Jarvis MF. (1992)
Comparison of antagonist and agonist binding to the leukotriene B4 receptor intact human polymorphonuclear neutrophils (PMN).
J. Pharmacol. Exp. Ther., 262 (1): 80-9. [PMID:1320692]