UCSF

ZINC17180062

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 26 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-5-(2-furyl)-4-[hydroxy-(p-tolyl)methylene]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) 2.11 8.57 -53.4 1 6 0 78 354.406 6 ↓
Hi High (pH 8-9.5) 2.11 6.06 -41.87 0 6 -1 77 353.398 6 ↓
Mid Mid (pH 6-8) 2.11 8.07 -43.31 2 6 1 75 355.414 6 ↓
Mid Mid (pH 6-8) 1.53 8.43 -45.7 1 6 1 72 355.414 6 ↓

Activity (Go SEA)

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