Ligand id: 7438

Name: methacholine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.3
Molecular weight 160.13
XLogP 0.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Pei XF, Gupta TH, Badio B, Padgett WL, Daly JW. (1998)
6beta-Acetoxynortropane: a potent muscarinic agonist with apparent selectivity toward M2-receptors.
J. Med. Chem., 41 (12): 2047-55. [PMID:9622546]