UCSF

ZINC13691961

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (5S)-4-(2,4-dimethoxybenzoyl)-1-(4,5-dimethylthiazol-2-yl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one (5S)-4-(2,4-dimethoxybenzoyl)-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) 2.38 8.45 -63.57 0 8 -1 105 450.496 6 ↓
Mid Mid (pH 6-8) 2.82 7.37 -35.74 1 8 0 102 451.504 5 ↓
Mid Mid (pH 6-8) 1.79 8.58 -27.79 0 8 0 99 451.504 6 ↓
Lo Low (pH 4.5-6) 2.82 7.65 -66.28 2 8 1 103 452.512 5 ↓
Lo Low (pH 4.5-6) 1.79 8.86 -58.18 1 8 1 100 452.512 6 ↓

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