UCSF

ZINC08926694

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 32 No

Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-5-(1-naphthyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-1…

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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) 3.85 9.55 -61.16 0 6 -1 79 430.48 8 ↓
Mid Mid (pH 6-8) 4.30 8.55 -28.87 1 6 0 76 431.488 7 ↓
Mid Mid (pH 6-8) 3.27 9.52 -21.52 0 6 0 73 431.488 8 ↓

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