UCSF

ZINC17179796

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 29 No

Popular Name: (4E,5S)-4-[hydroxy-(p-tolyl)methylene]-1-(3-imidazol-1-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione (4E,5S)-4-[hydroxy-(p-tolyl)meth…

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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) 2.68 10.98 -64.35 0 6 -1 78 406.487 7 ↓
Mid Mid (pH 6-8) 2.09 11.12 -17.35 0 6 0 72 407.495 7 ↓
Mid Mid (pH 6-8) 2.09 11.64 -43.25 1 6 1 74 408.503 7 ↓
Mid Mid (pH 6-8) 3.12 10.61 -17.44 1 6 0 75 407.495 6 ↓
Mid Mid (pH 6-8) 3.12 11.34 -46.64 2 6 1 77 408.503 6 ↓
Mid Mid (pH 6-8) 2.68 11.46 -76.04 1 6 0 80 407.495 7 ↓
Lo Low (pH 4.5-6) 2.68 11.06 -48.68 2 6 1 77 408.503 7 ↓

Activity (Go SEA)

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