UCSF

ZINC31638490

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 15 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37904-19-1 , 42537-50-8 , N/A

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 5.14 -65.18 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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