Ligand id: 500

Name: [125I]BE-2254    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 49.33
Molecular weight 421.05
XLogP 5.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Michelotti GA, Price DT, Schwinn DA. (2000)
alpha-1 Adrenergic receptor regulation: basic science and clinical implications.
Pharmacol & Ther, 88: 281-309. [PMID:11337028]
2. Schwinn DA, Johnston GI, Page SO, Mosley MJ, Wilson KH, Worman NP, Campbell S, Fidock MD, Furness LM, Parry-Smith DJ et al.. (1995)
Cloning and pharmacological characterization of human alpha-1 adrenergic receptors: sequence corrections and direct comparison with other species homologues.
J. Pharmacol. Exp. Ther., 272 (1): 134-42. [PMID:7815325]