UCSF

ZINC03814394

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 23 No

Popular Name: Gestodene Gestodene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 60282-87-3 , [60282-87-3]

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) 3.54 8.56 -8.88 1 2 0 37 310.437 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.81e-03 g/l DrugBank-approved
Purity 97.0%~103% APIChem
PUBCHEM_PATENT_ID EP0050867A1; EP0137278A2; EP0148724A1; EP0196270A2; EP0196271A2; EP0253607A1; EP0253607B1; EP0303306A1; EP0303306B1; EP0309263A2; EP0309263B1; EP0370220A1; EP0370220B1; EP0394429A1; EP0394429B1; EP0399631A1; EP0399631B1; EP0462189A1; EP0462189B1; EP047264 IBM Patent Data
Target Estrogen/progestogen Receptor Selleck Chemicals

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )