UCSF

ZINC17139040

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 27 No

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

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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) 1.57 8.72 -51.31 1 6 0 78 365.433 6 ↓
Hi High (pH 8-9.5) 1.57 6.2 -38.52 0 6 -1 77 364.425 6 ↓
Mid Mid (pH 6-8) 1.57 8.28 -44.58 2 6 1 75 366.441 6 ↓
Mid Mid (pH 6-8) 0.98 8.59 -47.11 1 6 1 72 366.441 6 ↓

Activity (Go SEA)

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