compound 58 [PMID: 21273063]

Ligand id: 5748

Name: compound 58 [PMID: 21273063]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 93.66
Molecular weight 436.13
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Szewczyk JW, Acton J, Adams AD, Chicchi G, Freeman S, Howard AD, Huang Y, Li C, Meinke PT, Mosely R et al.. (2011)
Design of potent and selective GPR119 agonists for type II diabetes.
Bioorg. Med. Chem. Lett., 21 (9): 2665-9. [PMID:21273063]