UCSF

ZINC53469152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 25 No

Popular Name: N-[2-(2-cyano-3-fluoro-anilino)ethyl]-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]acetamide N-[2-(2-cyano-3-fluoro-anilino)e…

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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) 0.78 2.87 -68.33 3 7 1 103 369.442 7 ↓
Mid Mid (pH 6-8) 0.78 0.45 -27.7 2 7 0 102 368.434 7 ↓

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

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