UCSF

ZINC05085574

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 18 Yes

Popular Name: 5-(2,5-Dimethoxyphenyl)-5-oxovaleric acid 5-(2,5-Dimethoxyphenyl)-5-oxoval…

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CAS Number: 63467-20-9

Other Names:

MFCD00667603

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) 1.79 2.02 -57.33 0 5 -1 75 251.258 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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