UCSF

ZINC01509378

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 4-oxo-3-phenylpentanoic acid 4-oxo-3-phenylpentanoic acid

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Other Names:

MFCD00601189

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) -0.35 6.02 -51.47 0 3 -1 57 191.206 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4983751 IBM Patent Data

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