Ligand id: 2046

Name: L-054,522

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 167.34
Molecular weight 645.36
XLogP 3.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Yang L, Berk SC, Rohrer SP, Mosley RT, Guo L, Underwood DJ, Arison BH, Birzin ET, Hayes EC, Mitra SW et al.. (1998)
Synthesis and biological activities of potent peptidomimetics selective for somatostatin receptor subtype 2.
Proc. Natl. Acad. Sci. U.S.A., 95 (18): 10836-41. [PMID:9724791]