UCSF

ZINC69878876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: 5-fluoro-2-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 5-fluoro-2-[[4-([1,2,4]triazolo[…

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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) 1.62 9.28 -16.82 0 7 0 73 337.362 3 ↓
Mid Mid (pH 6-8) 1.62 11.31 -60.7 1 7 1 75 338.37 3 ↓

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Rings

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

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