UCSF

ZINC05883963

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 29 No

Popular Name: 4-[hydroxy-(p-tolyl)methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(p-tolyl)pyrrolidine-2,3-dione 4-[hydroxy-(p-tolyl)methylene]-1…

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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) 3.40 10.39 -57.18 0 6 -1 86 404.471 4 ↓
Mid Mid (pH 6-8) 3.85 0.93 -18.16 1 6 0 83 405.479 3 ↓
Mid Mid (pH 6-8) 2.82 0.75 -11.97 0 6 0 80 405.479 4 ↓

Activity (Go SEA)

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