Ligand id: 6188

Name: bag-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 41.57
Molecular weight 333.22
XLogP 7.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Guan XM, Chen H, Dobbelaar PH, Dong Y, Fong TM, Gagen K, Gorski J, He S, Howard AD, Jian T et al. (2010)
Regulation of energy homeostasis by bombesin receptor subtype-3: selective receptor agonists for the treatment of obesity.
Cell Metabolism, 11 (2): 101-112. [PMID:20096642]