AH 11110

Ligand id: 8461

Name: AH 11110

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 56.55
Molecular weight 374.18
XLogP 6.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Saussy DL Jr, Goetz AS, Queen KL, King HK, Lutz MW, Rimele TJ. (1996)
Structure activity relationships of a series of buspirone analogs at alpha-1 adrenoceptors: further evidence that rat aorta alpha-1 adrenoceptors are of the alpha-1D-subtype.
Journal of Pharmacology & Experimental Therapeutics, 278: 136-144. [PMID:8764344]