compound 38a [PMID: 15634016]

Ligand id: 8755

Name: compound 38a [PMID: 15634016]

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 67.15
Molecular weight 190.06
XLogP 1.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Denton TT, Zhang X, Cashman JR. (2005)
5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
J. Med. Chem., 48 (1): 224-39. [PMID:15634016]