UCSF

ZINC01019952

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 34 No

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

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Other Names:

MFCD04088695

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) 3.38 9.79 -43.89 0 7 -1 92 457.506 9 ↓
Mid Mid (pH 6-8) 2.80 -0.63 -24.52 0 7 0 85 458.514 9 ↓
Mid Mid (pH 6-8) 3.83 -0.89 -28.28 1 7 0 88 458.514 8 ↓
Lo Low (pH 4.5-6) 3.83 -0.77 -50.83 2 7 1 90 459.522 8 ↓
Lo Low (pH 4.5-6) 2.80 -0.52 -51.66 1 7 1 87 459.522 9 ↓

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