UCSF

ZINC16737094

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5S)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one (5S)-4-(3,4-dimethoxybenzoyl)-3-…

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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) 2.24 7.79 -60.5 0 10 -1 134 455.443 10 ↓
Mid Mid (pH 6-8) 2.68 6.74 -35.01 1 10 0 131 456.451 9 ↓
Mid Mid (pH 6-8) 1.66 7.71 -33.06 0 10 0 128 456.451 10 ↓

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