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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: 3-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 3-[[2-(1-methylpyrazolo[4,5-e]py…

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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) 1.50 6.41 -67.15 1 8 -1 113 342.36 5 ↓

Analogs

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Popular Name: 2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 2-[[2-(1-methylpyrazolo[4,5-e]py…

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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) 1.66 6.76 -50.21 1 8 -1 113 342.36 5 ↓

Analogs

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Popular Name: 4-chloro-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 4-chloro-2-[[2-(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) 2.31 7.28 -45.27 1 8 -1 113 376.805 5 ↓

Analogs

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Popular Name: 3,5-dichloro-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 3,5-dichloro-2-[[2-(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) 2.92 7.83 -44.71 1 8 -1 113 411.25 5 ↓

Analogs

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Popular Name: 4-chloro-3-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 4-chloro-3-[[2-(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) 2.13 7.04 -58.48 1 8 -1 113 376.805 5 ↓

Analogs

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Popular Name: 5-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic 5-[[2-(1-methylpyrazolo[4,5-e]py…

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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) 1.36 6.02 -122.3 1 10 -2 153 385.361 6 ↓

Analogs

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Popular Name: 5-bromo-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 5-bromo-2-[[2-(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) 2.44 7.37 -46.28 1 8 -1 113 421.256 5 ↓

Analogs

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Popular Name: 4-methyl-3-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 4-methyl-3-[[2-(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) 1.90 7.25 -67.67 1 8 -1 113 356.387 5 ↓

Analogs

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Popular Name: 4,5-dimethoxy-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 4,5-dimethoxy-2-[[2-(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) 1.28 6 -49.07 1 10 -1 131 402.412 7 ↓

Analogs

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Popular Name: 5-chloro-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 5-chloro-2-[[2-(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) 2.31 7.21 -45.97 1 8 -1 113 376.805 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 3-methyl-2-[[2-(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) 1.12 7.54 -52.44 1 8 -1 113 356.387 5 ↓

Analogs

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Popular Name: 5-iodo-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 5-iodo-2-[[2-(1-methylpyrazolo[4…

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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) 2.71 7.79 -45.82 1 8 -1 113 468.256 5 ↓

Analogs

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Popular Name: 4-fluoro-2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic 4-fluoro-2-[[2-(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) 1.79 6.83 -44.86 1 8 -1 113 360.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(1-methylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetyl]amino]terephthalic 2-[[2-(1-methylpyrazolo[4,5-e]py…

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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) 1.54 6.42 -103.68 1 10 -2 153 385.361 6 ↓

Parameters Provided:

ring.id = 136797
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 = 136797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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