1,25-dihydroxyvitamin D3

Ligand id: 2779

Name: 1,25-dihydroxyvitamin D3

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 60.69
Molecular weight 416.33
XLogP 6.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Bishop JE, Collins ED, Okamura WH, Norman AW. (1994)
Profile of ligand specificity of the vitamin D binding protein for 1 alpha,25-dihydroxyvitamin D3 and its analogs.
J. Bone Miner. Res., 9 (8): 1277-88. [PMID:7976510]
2. Erben RG, Soegiarto DW, Weber K, Zeitz U, Lieberherr M, Gniadecki R, Möller G, Adamski J, Balling R. (2002)
Deletion of deoxyribonucleic acid binding domain of the vitamin D receptor abrogates genomic and nongenomic functions of vitamin D.
Mol. Endocrinol., 16 (7): 1524-37. [PMID:12089348]