Ligand id: 4192

Name: flumazenil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 64.43
Molecular weight 303.1
XLogP 1.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Huang Q, Liu R, Zhang P, He X, McKernan R, Gan T, Bennett DW, Cook JM. (1998)
Predictive models for GABAA/benzodiazepine receptor subtypes: studies of quantitative structure-activity relationships for imidazobenzodiazepines at five recombinant GABAA/benzodiazepine receptor subtypes [alphaxbeta3gamma2 (x = 1-3, 5, and 6)] via comparative molecular field analysis.
J. Med. Chem., 41 (21): 4130-42. [PMID:9767648]
2. Wieland HA, L├╝ddens H. (1994)
Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor.
J. Med. Chem., 37 (26): 4576-80. [PMID:7799410]