UCSF

ZINC42018077

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 23 Yes

Popular Name: N,1,6-trimethyl-N-[(3-methyl-2-thienyl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N,1,6-trimethyl-N-[(3-methyl-2-t…

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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) 1.71 5.61 -65.96 0 6 -1 74 329.405 3 ↓
Lo Low (pH 4.5-6) 1.25 7.25 -20.1 1 6 0 71 330.413 3 ↓

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

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