UCSF

ZINC69701851

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 No

Popular Name: 5-fluoro-2-[(1,1,4-trioxo-2H-benzo[e]thiadiazin-3-yl)methyl]benzonitrile 5-fluoro-2-[(1,1,4-trioxo-2H-ben…

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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) 1.48 4.21 -11.9 1 6 0 90 331.328 2 ↓
Hi High (pH 8-9.5) 1.48 4.38 -44.3 0 6 -1 92 330.32 2 ↓

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

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