arecaidine propargyl ester

Ligand id: 295

Name: arecaidine propargyl ester

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 29.54
Molecular weight 179.09
XLogP 0.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jakubík J, Bacáková L, El-Fakahany EE, Tucek S. (1997)
Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic acetylcholine receptors.
Mol. Pharmacol., 52 (1): 172-9. [PMID:9224827]