UCSF

ZINC32511740

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 17 No

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

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CAS Numbers: , 1089327-21-8

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) 1.27 4.81 -62.71 1 5 -1 78 234.231 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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