UCSF

ZINC06309169

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 29 No

Popular Name: 4-(2,4-dimethylthiazol-5-yl)carbonyl-3-hydroxy-1-(2-methoxyethyl)-5-(2-nitrophenyl)-5H-pyrrol-2-one 4-(2,4-dimethylthiazol-5-yl)carb…

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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) 1.38 6.6 -57.3 0 9 -1 128 416.435 7 ↓
Mid Mid (pH 6-8) 1.82 -1.39 -32.75 1 9 0 125 417.443 6 ↓
Mid Mid (pH 6-8) 0.80 -1.26 -20.23 0 9 0 122 417.443 7 ↓

Activity (Go SEA)

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