UCSF

ZINC17058484

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 25 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-4-(2-furyl-hydroxy-methylene)-5-(2-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) 0.50 6.35 -72.81 1 7 0 91 341.367 6 ↓
Hi High (pH 8-9.5) 0.50 3.8 -62.3 0 7 -1 90 340.359 6 ↓
Lo Low (pH 4.5-6) 0.50 7.81 -94.85 3 7 2 89 343.383 6 ↓
Lo Low (pH 4.5-6) 0.50 7.16 -94.09 2 7 1 92 342.375 6 ↓
Lo Low (pH 4.5-6) 0.50 5.53 -48.6 2 7 1 88 342.375 6 ↓

Activity (Go SEA)

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