Ligand id: 2786

Name: calcitriol-26,23-lactone

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.99
Molecular weight 444.29
XLogP 5.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Shiina Y, Abe E, Miyaura C, Tanaka H, Yamada S, Ohmori M, Nakayama K, Takayama H, Matsunaga I, Nishii Y, DeLuca HF, Suda T. (1983)
Biological activity of 24,24-difluoro-1 alpha, 25-dihydroxyvitamin D3 and 1 alpha, 25-dihydroxyvitamin D3-26,23-lactone in inducing differentiation of human myeloid leukemia cells.
Arch. Biochem. Biophys., 220 (1): 90-4. [PMID:6572492]