Ligand id: 462

Name: [125I]APNEA    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 151.57
Molecular weight 386.17
XLogP 0.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Zhou QY, Li C, Olah ME, Johnson RA, Stiles GL, Civelli O. (1992)
Molecular cloning and characterization of an adenosine receptor: the A3 adenosine receptor.
Proc. Natl. Acad. Sci. U.S.A., 89: 7432-7436. [PMID:1323836]