UCSF

ZINC67226410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 34 Yes

Popular Name: N-(4-dimethylaminophenyl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]pyri N-(4-dimethylaminophenyl)-2-[7-m…

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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) 3.71 11.45 -17.86 1 8 0 85 470.455 6 ↓
Lo Low (pH 4.5-6) 3.71 12.21 -82.09 2 8 0 86 471.463 6 ↓

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

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