UCSF

ZINC12484965

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 29 Yes

Popular Name: Alfacalcidol Alfacalcidol

Find On: PubMed — Wikipedia — Google

CAS Number: 41294-56-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.76 10.23 -3.75 2 2 0 40 400.647 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.63e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0019000A1; EP0028484A1; EP0077353A1; EP0107941A1; EP0116755A1; EP0129003A2; EP0129003B2; EP0171990A1; EP0177920A2; EP0211863A1; EP0211863B1; EP0335140A1; EP0335140B1; EP0377743B1; EP0383116A2; EP0383116B1; EP0390930A1; EP0390930B1; EP0402982A1; EP040298 IBM Patent Data

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