UCSF

ZINC17145536

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 28 No

Popular Name: (4E,5S)-1-(2-hydroxyethyl)-4-[hydroxy-(p-tolyl)methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione (4E,5S)-1-(2-hydroxyethyl)-4-[hy…

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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) 2.15 6.56 -57.51 1 8 -1 126 381.364 6 ↓
Mid Mid (pH 6-8) 1.57 6.68 -17.9 1 8 0 121 382.372 6 ↓
Mid Mid (pH 6-8) 2.60 6.13 -17.94 2 8 0 124 382.372 5 ↓

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