Ligand id: 9363

Name: BU72

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 44.73
Molecular weight 428.25
XLogP 4.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Husbands SM, Lewis JW. (1995)
Morphinan cyclic imines and pyrrolidines containing a constrained phenyl group: high affinity opioid agonists.
Bioorganic Med. Chem. Letters, 5: 2969–2974.
2. Neilan CL, Husbands SM, Breeden S, Ko MC, Aceto MD, Lewis JW, Woods JH, Traynor JR. (2004)
Characterization of the complex morphinan derivative BU72 as a high efficacy, long-lasting mu-opioid receptor agonist.
Eur J Pharmacol, 499: 107-16. [PMID:15363957]