quinine

Ligand id: 2510

Name: quinine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 45.59
Molecular weight 324.18
XLogP 2.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Engel K, Wang J. (2005)
Interaction of organic cations with a newly identified plasma membrane monoamine transporter.
Mol. Pharmacol.68 (5): 1397-407. [PMID:16099839]
2. Schmalz F, Kinsella J, Koh SD, Vogalis F, Schneider A, Flynn ER, Kenyon JL, Horowitz B. (1998)
Molecular identification of a component of delayed rectifier current in gastrointestinal smooth muscles.
Am. J. Physiol.274 (5 Pt 1): G901-11. [PMID:9612272]
3. Wang J. (2016)
The plasma membrane monoamine transporter (PMAT): Structure, function, and role in organic cation disposition.
Clin. Pharmacol. Ther.100 (5): 489-499. [PMID:27506881]