UCSF

ZINC13548908

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 No

Popular Name: (4E,5S)-4-[hydroxy-(2-thienyl)methylene]-1-(3-morpholinopropyl)-5-(2-thienyl)pyrrolidine-2,3-dione (4E,5S)-4-[hydroxy-(2-thienyl)me…

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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) 2.32 5.49 -59.45 0 6 -1 73 417.532 7 ↓
Mid Mid (pH 6-8) 2.77 8.02 -53.53 2 6 1 71 419.548 6 ↓
Mid Mid (pH 6-8) 1.74 8.13 -48.82 1 6 1 68 419.548 7 ↓
Mid Mid (pH 6-8) 2.32 7.83 -71.46 1 6 0 74 418.54 7 ↓

Activity (Go SEA)

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