carvedilol

Ligand id: 551

Name: carvedilol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 75.74
Molecular weight 406.19
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Baker JG. (2005)
The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors.
Br J Pharmacol144: 317-322. [PMID:15655528]
2. Candelore MR, Deng L, Tota L, Guan XM, Amend A, Liu Y, Newbold R, Cascieri MA, Weber AE. (1999)
Potent and selective human beta(3)-adrenergic receptor antagonists.
J Pharmacol Exp Ther290: 649-655. [PMID:10411574]