UCSF

ZINC00702427

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 No

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

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Other Names:

MFCD03837893

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) 2.93 9.69 -46.4 0 7 -1 92 443.479 8 ↓
Mid Mid (pH 6-8) 3.38 -0.94 -27.06 1 7 0 88 444.487 7 ↓
Mid Mid (pH 6-8) 2.35 -0.64 -24.92 0 7 0 85 444.487 8 ↓
Lo Low (pH 4.5-6) 3.38 -0.83 -53.71 2 7 1 90 445.495 7 ↓
Lo Low (pH 4.5-6) 2.35 -0.53 -53.61 1 7 1 87 445.495 8 ↓

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