Ligand id: 6921

Name: calcifediol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 40.46
Molecular weight 400.33
XLogP 7.93
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cheng JB, Motola DL, Mangelsdorf DJ, Russell DW. (2003)
De-orphanization of cytochrome P450 2R1: a microsomal vitamin D 25-hydroxilase.
J. Biol. Chem., 278 (39): 38084-93. [PMID:12867411]