Ligand id: 679

Name: anatibant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 175.95
Molecular weight 710.18
XLogP 5.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Pruneau D, Paquet JL, Luccarini JM, DefrĂȘne E, Fouchet C, Franck RM, Loillier B, Robert C, BĂ©lichard P, Duclos H, Cremers B, Dodey P. (1999)
Pharmacological profile of LF 16-0687, a new potent non-peptide bradykinin B2 receptor antagonist.
Immunopharmacology, 43: 187-194. [PMID:10596852]