UCSF

ZINC11680067

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2008 24 No

Popular Name: Etonogestrel Etonogestrel

Find On: PubMed — Wikipedia — Google

CAS Number: 54048-10-1

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) 3.88 9.02 -8.28 1 2 0 37 324.464 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.37e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0253607A1; EP0253607B1; EP0303306B1; EP0398460A2; EP0398460B1; EP0399631A1; EP0472645A1; EP0472645B1; EP0491415A1; EP0491415B1; EP0491438A1; EP0491438B1; EP0491443A1; EP0491443B1; EP0491853A1; EP0500793A1; EP0500793B1; EP0503521A1; EP0503521B1; EP059131 IBM Patent Data
Patent Database Links US2007248658; US2007264345 ChEBI

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