UCSF

ZINC04214767

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 22 No

Popular Name: Allylestrenol Allylestrenol

Find On: PubMed — Wikipedia — Google

CAS Number: 432-60-0

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) 5.56 0.38 -1.52 1 1 0 20 300.486 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.58e-04 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0110955A1; EP0110955B1; EP0136011A2; EP0136011B1; EP0222385A2; EP0256577A2; EP0309263A2; EP0309263B1; EP0327766A2; EP0327766B1; EP0335545A2; EP0335545B2; EP0337938A2; EP0421454A2; EP0421454B1; EP0421454B2; EP0496520A1; EP0519926A1; EP0519926B1; EP053949 IBM Patent Data

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