UCSF

ZINC00053898

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 15 No

Popular Name: (2E)-4-[(3-methylphenyl)amino]-4-oxobut-2-enoic acid (2E)-4-[(3-methylphenyl)amino]-4…

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CAS Numbers: , 37904-19-1

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) 1.31 4.41 -48.52 1 4 -1 69 204.205 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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