7α-hydroxycholesterol

Ligand id: 4351

Name: 7α-hydroxycholesterol

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 40.46
Molecular weight 402.35
XLogP 8.7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Liu C, Yang XV, Wu J, Kuei C, Mani NS, Zhang L, Yu J, Sutton SW, Qin N, Banie H et al.. (2011)
Oxysterols direct B-cell migration through EBI2.
Nature, 475 (7357): 519-23. [PMID:21796211]
2. Noshiro M, Okuda K. (1990)
Molecular cloning and sequence analysis of cDNA encoding human cholesterol 7 alpha-hydroxylase.
FEBS Lett., 268 (1): 137-40. [PMID:2384150]