UCSF

ZINC32625358

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 16 No

Popular Name: 4-(3-methoxyanilino)-4-oxo-2-butenoic acid 4-(3-methoxyanilino)-4-oxo-2-but…

Find On: PubMed — Wikipedia — Google

CAS Number: 306935-71-7

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) 0.91 3.79 -71.29 1 5 -1 78 220.204 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1; WO2000025768A1 IBM Patent Data

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