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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[1-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-piperidyl]methyl]acetamide N-[[1-[(1-methyl-4-oxo-5H-pyrazo…

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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) -0.18 2.33 -56.47 2 8 0 100 318.381 4 ↓
Mid Mid (pH 6-8) -0.64 5.1 -66.65 3 8 1 97 319.389 4 ↓

Analogs

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Popular Name: N-[1-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-piperidyl]pentanamide N-[1-[(1-methyl-4-oxo-5H-pyrazol…

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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) 1.34 3.95 -48.8 2 8 0 100 346.435 6 ↓
Mid Mid (pH 6-8) 0.88 6.74 -61.78 3 8 1 97 347.443 6 ↓
Mid Mid (pH 6-8) 0.88 4.53 -16.64 2 8 0 96 346.435 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.68 4.68 -46.08 1 8 0 97 319.365 5 ↓
Mid Mid (pH 6-8) 0.22 7.31 -57.6 2 8 1 94 320.373 5 ↓

Analogs

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

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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) 1.05 4.01 -43.11 1 6 0 71 261.329 2 ↓
Mid Mid (pH 6-8) 0.59 6.63 -52.89 2 6 1 68 262.337 2 ↓

Analogs

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

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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) 1.05 3.85 -43.52 1 6 0 71 261.329 2 ↓
Mid Mid (pH 6-8) 0.59 6.62 -52.89 2 6 1 68 262.337 2 ↓

Analogs

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Popular Name: 6-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3S,5R)-3,5-dimethyl-1-piper…

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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) 1.52 4.44 -43.56 1 6 0 71 275.356 2 ↓
Mid Mid (pH 6-8) 1.07 7.23 -53.26 2 6 1 68 276.364 2 ↓

Analogs

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Popular Name: 6-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3S,5S)-3,5-dimethyl-1-piper…

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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) 1.52 4.45 -43.68 1 6 0 71 275.356 2 ↓
Mid Mid (pH 6-8) 1.07 7.1 -52.43 2 6 1 68 276.364 2 ↓

Analogs

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Popular Name: 6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3R,5R)-3,5-dimethyl-1-piper…

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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) 1.52 4.63 -43.06 1 6 0 71 275.356 2 ↓
Mid Mid (pH 6-8) 1.07 7.12 -52.48 2 6 1 68 276.364 2 ↓

Analogs

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Popular Name: 1-methyl-6-[(4-methyl-1-piperidyl)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[(4-methyl-1-piperidy…

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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) 1.05 4.05 -44.32 1 6 0 71 261.329 2 ↓
Mid Mid (pH 6-8) 0.59 6.66 -53.74 2 6 1 68 262.337 2 ↓

Analogs

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Popular Name: 1-methyl-6-[[(2R)-2-methyl-1-piperidyl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[(2R)-2-methyl-1-pip…

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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) 1.14 3.74 -41.94 1 6 0 71 261.329 2 ↓
Mid Mid (pH 6-8) 0.68 6.54 -49.16 2 6 1 68 262.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-6-[[(2S)-2-methyl-1-piperidyl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[(2S)-2-methyl-1-pip…

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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) 1.14 3.92 -40.99 1 6 0 71 261.329 2 ↓
Mid Mid (pH 6-8) 0.68 6.54 -49.11 2 6 1 68 262.337 2 ↓

Analogs

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Popular Name: 6-[(4-hydroxy-1-piperidyl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-hydroxy-1-piperidyl)methyl…

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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) -1.08 0.06 -47.93 2 7 0 91 263.301 2 ↓
Mid Mid (pH 6-8) -1.53 2.69 -57.36 3 7 1 88 264.309 2 ↓
Mid Mid (pH 6-8) -1.53 0.5 -13.65 2 7 0 87 263.301 2 ↓

Parameters Provided:

ring.id = 25154
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 25154 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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