UCSF

ZINC16731712

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-5-(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) 2.98 7.9 -61.13 0 8 -1 97 466.51 12 ↓
Mid Mid (pH 6-8) 3.43 7.23 -30.38 1 8 0 95 467.518 11 ↓
Mid Mid (pH 6-8) 2.40 8.2 -24.17 0 8 0 91 467.518 12 ↓

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