UCSF

ZINC49544289

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 Yes

Popular Name: (4R)-1-tert-butyl-4-[3-(3-pyridylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4R)-1-tert-butyl-4-[3-(3-pyridy…

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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) 3.08 6.78 -11.69 1 6 0 73 376.46 5 ↓
Ref Reference (pH 7) 2.89 9.3 -11.82 1 6 0 69 376.46 5 ↓
Lo Low (pH 4.5-6) 3.08 7.25 -40.8 2 6 1 74 377.468 5 ↓
Lo Low (pH 4.5-6) 2.89 9.76 -41.72 2 6 1 70 377.468 5 ↓

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Rings

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

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