UCSF

ZINC00702428

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 No

Popular Name: 4-(3-ethoxybenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(3-ethoxybenzoyl)-3-hydroxy-5-…

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Other Names:

MFCD03837894

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) 2.39 7.48 -44.42 1 7 -1 103 429.452 7 ↓
Mid Mid (pH 6-8) 2.84 -2.93 -28.35 2 7 0 99 430.46 6 ↓
Mid Mid (pH 6-8) 1.81 -2.68 -28.22 1 7 0 96 430.46 7 ↓
Lo Low (pH 4.5-6) 2.84 -2.82 -55.38 3 7 1 101 431.468 6 ↓
Lo Low (pH 4.5-6) 1.81 -2.56 -57.45 2 7 1 98 431.468 7 ↓

Activity (Go SEA)

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