Ligand id: 1002

Name: [125I]PD164333    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 159.08
Molecular weight 823.15
XLogP 6.46
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Davenport AP, Kuc RE, Ashby MJ, Patt WC, Doherty AM. (1998)
Characterization of [125I]-PD164333, an ETA-selective non-peptide radiolabelled antagonist, in normal and diseased human tissues.
Br. J. Pharmacol., 123: 223-230. [PMID:9489609]