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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: (3S)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide (3S)-1-(1-methylpyrazolo[3,4-d]p…

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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) -0.45 2.61 -16.45 2 7 0 90 246.274 2 ↓

Analogs

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Popular Name: (3R)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide (3R)-1-(1-methylpyrazolo[3,4-d]p…

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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) -0.45 2.62 -14.99 2 7 0 90 246.274 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-methylpyrazol…

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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) 0.30 7.76 -50.63 1 7 0 88 261.285 2 ↓
Mid Mid (pH 6-8) 0.30 6.94 -45.58 0 7 -1 87 260.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methylpyrazol…

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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) 0.30 7.73 -42.29 1 7 0 88 261.285 2 ↓
Mid Mid (pH 6-8) 0.30 6.97 -47.12 0 7 -1 87 260.277 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1-methylpyrazolo…

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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) 0.64 8.29 -36.65 1 7 0 88 275.312 3 ↓
Mid Mid (pH 6-8) 0.64 7.42 -44.68 0 7 -1 87 274.304 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1-methylpyrazolo…

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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) 0.64 8.23 -49.34 1 7 0 88 275.312 3 ↓
Mid Mid (pH 6-8) 0.64 7.52 -45.88 0 7 -1 87 274.304 3 ↓

Analogs

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Popular Name: (3S)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1-methylpyrazolo[3,4-d]p…

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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) 1.20 9.05 -36.59 1 7 0 88 289.339 4 ↓
Mid Mid (pH 6-8) 1.20 8.19 -44.93 0 7 -1 87 288.331 4 ↓

Analogs

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Popular Name: (3R)-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1-methylpyrazolo[3,4-d]p…

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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) 1.20 8.98 -41.19 1 7 0 88 289.339 4 ↓
Mid Mid (pH 6-8) 1.20 8.29 -46.04 0 7 -1 87 288.331 4 ↓

Analogs

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Popular Name: (2S)-N,N-diethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (2S)-N,N-diethyl-1-(1-methylpyra…

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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) 0.80 8 -16.21 0 7 0 67 302.382 4 ↓

Analogs

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Popular Name: (2R)-N,N-diethyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (2R)-N,N-diethyl-1-(1-methylpyra…

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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) 0.80 7.97 -16.03 0 7 0 67 302.382 4 ↓

Analogs

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Popular Name: (3R)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-ol (3R)-1-(1H-pyrazolo[3,4-d]pyrimi…

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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) -0.27 1.39 -9.1 2 6 0 78 205.221 1 ↓

Analogs

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Popular Name: 3-methylsulfanyl-4-pyrrolidin-1-yl-1H-pyrazolo[3,4-d]pyrimidine 3-methylsulfanyl-4-pyrrolidin-1-…

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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) 1.37 6.14 -6.83 1 5 0 58 235.316 2 ↓

Analogs

14280029
14280029
14280030
14280030

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (2S)-N-methyl-1-(1-methylpyrazol…

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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) -0.19 4.21 -17.22 1 7 0 76 260.301 2 ↓

Analogs

14280029
14280029
14280030
14280030

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (2R)-N-methyl-1-(1-methylpyrazol…

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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) -0.19 4.59 -17.09 1 7 0 76 260.301 2 ↓

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(1-methylpyr…

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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) -2.42 3.39 -55.77 1 8 -1 107 262.249 2 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(1-methylpyr…

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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) -2.42 3.39 -56.72 1 8 -1 107 262.249 2 ↓

Analogs

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Popular Name: (2R,4R)-4-methoxy-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-(1-methylpyr…

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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) -1.81 5.75 -54.13 0 8 -1 96 276.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methoxy-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-(1-methylpyr…

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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) -1.81 5.75 -55.36 0 8 -1 96 276.276 3 ↓

Parameters Provided:

ring.id = 109080
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 = 109080 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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