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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-tert-butyl-6-[[(1S)-1-phenylethyl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-tert-butyl-6-[[(1S)-1-phenylet…

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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) 3.28 9.4 -10.98 2 6 0 76 311.389 4 ↓

Analogs

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Popular Name: 1-tert-butyl-6-[[(1R)-1-phenylethyl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-tert-butyl-6-[[(1R)-1-phenylet…

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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) 3.28 9.41 -10.98 2 6 0 76 311.389 4 ↓

Analogs

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Popular Name: 3-[[(1-tert-butyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]methyl]benzamide 3-[[(1-tert-butyl-4-oxo-5H-pyraz…

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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) 1.51 5.32 -18.2 4 8 0 119 340.387 5 ↓

Analogs

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Popular Name: 4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)-methyl-amino]methyl]benzonitrile 4-[[(1-tert-butyl-4-oxo-5H-pyraz…

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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) 2.83 11.02 -17.66 1 7 0 91 336.399 4 ↓

Analogs

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Popular Name: 1-tert-butyl-6-[(4-methylsulfanylphenyl)methylamino]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-tert-butyl-6-[(4-methylsulfany…

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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) 3.15 9.57 -12.35 2 6 0 76 343.456 5 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(1S)-1-(4-fluorophenyl)ethyl…

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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) 2.25 7.41 -12.73 2 6 0 76 287.298 3 ↓

Analogs

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Popular Name: 6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(1R)-1-(4-fluorophenyl)ethyl…

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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) 2.25 7.42 -12.74 2 6 0 76 287.298 3 ↓

Analogs

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Popular Name: 6-[[4-(diethylamino)-3-fluoro-phenyl]methylamino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[4-(diethylamino)-3-fluoro-ph…

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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) 2.48 9.2 -12.71 2 7 0 79 344.394 6 ↓
Mid Mid (pH 6-8) 2.48 8.99 -45.61 3 7 1 80 345.402 6 ↓

Analogs

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Popular Name: 6-[[3-(difluoromethoxy)phenyl]methyl-methyl-amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[3-(difluoromethoxy)phenyl]me…

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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) 2.48 8.26 -15.66 1 7 0 76 335.314 5 ↓

Analogs

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Popular Name: 6-[(2,5-dimethoxyphenyl)methyl-methyl-amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(2,5-dimethoxyphenyl)methyl-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) 1.93 7.31 -13.15 1 8 0 85 329.36 5 ↓

Analogs

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Popular Name: 6-[[(1R)-1-(4-isopropylsulfanylphenyl)ethyl]amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(1R)-1-(4-isopropylsulfanylp…

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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) 3.26 9.98 -12.16 2 6 0 76 343.456 5 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(4-isopropylsulfanylphenyl)ethyl]amino]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(1S)-1-(4-isopropylsulfanylp…

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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) 3.26 9.97 -12.05 2 6 0 76 343.456 5 ↓

Parameters Provided:

ring.id = 168466
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 168466 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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