UCSF

ZINC09243610

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 No

Popular Name: 4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-ethoxybenzoyl)-3-hydroxy-1-…

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Other Names:

MFCD03779696

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) 2.52 6.18 -68.19 1 7 -1 99 424.473 10 ↓
Mid Mid (pH 6-8) 2.96 -2.3 -16.52 2 7 0 96 425.481 9 ↓
Mid Mid (pH 6-8) 1.93 -2.74 -15.98 1 7 0 93 425.481 10 ↓

Activity (Go SEA)

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