UCSF

ZINC16734080

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-3-hyd…

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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) 2.87 9.61 -63.33 0 9 -1 110 515.542 11 ↓
Mid Mid (pH 6-8) 3.32 7.88 -32.05 1 9 0 107 516.55 10 ↓
Mid Mid (pH 6-8) 2.29 8.88 -29.19 0 9 0 104 516.55 11 ↓
Lo Low (pH 4.5-6) 3.32 8.17 -53.46 2 9 1 109 517.558 10 ↓
Lo Low (pH 4.5-6) 2.29 9.17 -55.78 1 9 1 106 517.558 11 ↓

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