UCSF

ZINC04156649

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 20 No

Popular Name: Estra-4,9-Diene-3,17-Dione Estra-4,9-Diene-3,17-Dione

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CAS Numbers: 13885-20-6 , 5173-46-6

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) 2.47 1.47 -11.24 0 2 0 34 270.372 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% APIChem
PUBCHEM_PATENT_ID EP1042356A2; US4055603; US6143887; WO1999032507A2; WO1999058550A1; WO1999058551A1 IBM Patent Data

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