UCSF

ZINC09272790

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 29 No

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

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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) 3.47 8.24 -39.32 0 6 -1 79 459.316 8 ↓
Mid Mid (pH 6-8) 2.89 -1.19 -21.71 0 6 0 72 460.324 8 ↓
Mid Mid (pH 6-8) 3.92 6.81 -26.96 1 6 0 76 460.324 7 ↓

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