UCSF

ZINC69485111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: 1,6-dimethyl-3-oxo-N-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carbox 1,6-dimethyl-3-oxo-N-[5-(trifluo…

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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) 0.28 5.54 -55.78 2 9 -1 120 340.245 3 ↓
Lo Low (pH 4.5-6) 0.28 5.93 -71.71 3 9 0 121 341.253 3 ↓

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Rings

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

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