UCSF

ZINC00702439

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 No

Popular Name: 4-(2,5-dimethylbenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(2,5-dimethylbenzoyl)-5-(3-eth…

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Other Names:

MFCD03861309

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) 4.72 12.16 -60.55 1 6 -1 90 470.545 8 ↓
Mid Mid (pH 6-8) 4.14 11.53 -14.93 1 6 0 84 471.553 8 ↓
Mid Mid (pH 6-8) 5.17 11.44 -19.05 2 6 0 87 471.553 7 ↓

Activity (Go SEA)

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