compound 2g [PMID: 19309152]

Ligand id: 5791

Name: compound 2g [PMID: 19309152]

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 103.93
Molecular weight 377.14
XLogP 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Shen HC, Ding FX, Deng Q, Wilsie LC, Krsmanovic ML, Taggart AK, Carballo-Jane E, Ren N, Cai TQ, Wu TJ et al.. (2009)
Discovery of novel tricyclic full agonists for the G-protein-coupled niacin receptor 109A with minimized flushing in rats.
J. Med. Chem., 52 (8): 2587-602. [PMID:19309152]