UCSF

ZINC00097234

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 17 No

Popular Name: 4-(mesitylamino)-4-oxobut-2-enoic acid 4-(mesitylamino)-4-oxobut-2-enoi…

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CAS Number: 189875-67-0

Other Names:

MFCD00020462

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) 1.15 6.04 -47.96 1 4 -1 69 232.259 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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