UCSF

ZINC53650044

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 24 Yes

Popular Name: N-[2-[[5-(cyanomethylsulfanyl)-4-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]-2-fluoro-benzamide N-[2-[[5-(cyanomethylsulfanyl)-4…

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Download: MOL2 SDF SMILES Flexibase

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) 2.20 5.92 -16.87 2 6 0 95 364.427 6 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.