UCSF

ZINC00702554

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 No

Popular Name: 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-hydroxy-4-(4-methoxybenzoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one 1-(5-acetyl-4-methyl-1,3-thiazol…

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Other Names:

MFCD03519406

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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) 3.55 10.11 -37.15 0 7 -1 100 447.492 6 ↓
Mid Mid (pH 6-8) 3.99 -0.6 -23.25 1 7 0 96 448.5 5 ↓
Mid Mid (pH 6-8) 2.96 -0.37 -14.72 0 7 0 93 448.5 6 ↓

Activity (Go SEA)

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