UCSF

ZINC06390174

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 30 No

Popular Name: 4-(2,4-dimethylthiazol-5-yl)carbonyl-3-hydroxy-5-(p-tolyl)-1-(3-pyridylmethyl)-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) 2.09 -1.68 -15.73 1 6 0 83 419.506 5 ↓
Lo Low (pH 4.5-6) 1.51 -1.83 -23.31 0 6 0 80 419.506 5 ↓
Lo Low (pH 4.5-6) 2.54 -1.94 -51.2 2 6 1 84 420.514 4 ↓

Activity (Go SEA)

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