UCSF

ZINC00031533

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 17 Yes

Popular Name: 4-[(4-ethoxyphenyl)amino]-4-oxobutanoic acid 4-[(4-ethoxyphenyl)amino]-4-oxob…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 59256-45-0 , [59256-45-0]

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) 1.34 5.11 -46.48 1 5 -1 78 236.247 6 ↓
Lo Low (pH 4.5-6) 1.34 3.14 -10.16 2 5 0 76 237.255 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 163 - 165 KeyOrganics
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )