xylometazoline

Ligand id: 517

Name: xylometazoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 24.39
Molecular weight 244.19
XLogP 5.78
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Minneman KP, Theroux TL, Hollinger S, Han C, Esbenshade TA. (1994)
Selectivity of agonists for cloned α1-adrenergic receptor subtypes.
Mol. Pharmacol.46: 929-936. [PMID:7969082]
2. Stäubert C, Böselt I, Bohnekamp J, Römpler H, Enard W, Schöneberg T. (2010)
Structural and functional evolution of the trace amine-associated receptors TAAR3, TAAR4 and TAAR5 in primates.
PLoS ONE5 (6): e11133. [PMID:20559446]