UCSF

ZINC67981697

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 22 Yes

Popular Name: 4-[(2-ethoxy-2-oxoethyl)amino]-2-(4-isopropoxyphenyl)-4-oxobutanoic acid 4-[(2-ethoxy-2-oxoethyl)amino]-2…

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Other Names:

MFCD00391242

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) 0.65 3.07 -41.4 3 8 -1 127 296.266 2 ↓
Lo Low (pH 4.5-6) 0.65 3.72 -35.54 4 8 0 128 297.274 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.