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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: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-(1-benzyl-3,5-dimethyl-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) 2.77 8.32 -11.48 2 7 0 84 333.399 4 ↓

Analogs

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Popular Name: N-(1-benzylpyrazol-4-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-(1-benzylpyrazol-4-yl)-3-methy…

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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) 2.33 7.42 -12.1 2 7 0 84 305.345 4 ↓

Analogs

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Popular Name: 3-methyl-N-[1-(o-tolylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-[1-(o-tolylmethyl)pyr…

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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) 2.73 8.08 -11.76 2 7 0 84 319.372 4 ↓

Analogs

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Popular Name: 3-methyl-N-[1-(m-tolylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-[1-(m-tolylmethyl)pyr…

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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) 2.75 8.08 -12.21 2 7 0 84 319.372 4 ↓

Analogs

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Popular Name: 3-methyl-N-[1-(p-tolylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-[1-(p-tolylmethyl)pyr…

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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) 2.78 8.09 -12.24 2 7 0 84 319.372 4 ↓

Analogs

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Popular Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[1-[(2-fluorophenyl)methyl]pyr…

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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) 2.44 7.44 -14.64 2 7 0 84 323.335 4 ↓
Ref Reference (pH 7) 2.44 7.81 -16.19 2 7 0 84 323.335 4 ↓

Analogs

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Popular Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[1-[(3-fluorophenyl)methyl]pyr…

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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) 2.47 7.48 -14.38 2 7 0 84 323.335 4 ↓
Ref Reference (pH 7) 2.47 7.85 -15.84 2 7 0 84 323.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[1-[(4-fluorophenyl)methyl]pyr…

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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) 2.49 7.48 -13.44 2 7 0 84 323.335 4 ↓
Ref Reference (pH 7) 2.49 7.85 -14.94 2 7 0 84 323.335 4 ↓

Parameters Provided:

ring.id = 539552
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 = 539552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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