UCSF

ZINC17160515

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 31 No

Popular Name: (4E,5R)-4-[hydroxy-(p-tolyl)methylene]-5-(4-methoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione (4E,5R)-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) 3.05 9.65 -63.59 0 6 -1 83 413.453 6 ↓
Mid Mid (pH 6-8) 2.46 9.18 -13.93 0 6 0 77 414.461 6 ↓
Mid Mid (pH 6-8) 3.05 8.82 -12.96 1 6 0 80 414.461 6 ↓
Lo Low (pH 4.5-6) 2.46 9.46 -42.78 1 6 1 78 415.469 6 ↓
Lo Low (pH 4.5-6) 3.49 8.85 -39.96 2 6 1 81 415.469 5 ↓

Activity (Go SEA)

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