Ligand id: 7634

Name: C7/3-phth

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 16
Topological polar surface area 74.76
Molecular weight 562.35
XLogP 4.98
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Christopoulos A, Sorman JL, Mitchelson F, El-Fakahany EE. (1999)
Characterization of the subtype selectivity of the allosteric modulator heptane-1,7-bis-(dimethyl-3'-phthalimidopropyl) ammonium bromide (C7/3-phth) at cloned muscarinic acetylcholine receptors.
Biochem. Pharmacol., 57 (2): 171-9. [PMID:9890565]