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Analogs

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Popular Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonylamino]benzoic 4-[(1,3-dimethylpyrazolo[3,4-b]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) 1.84 4.74 -103.19 0 8 -2 119 344.352 4 ↓
Mid Mid (pH 6-8) 1.84 4.59 -52.09 1 8 -1 117 345.36 4 ↓

Analogs

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Popular Name: N-(3-hydroxy-2,4-dimethyl-phenyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-sulfonamide N-(3-hydroxy-2,4-dimethyl-phenyl…

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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) 2.46 2.91 -42.76 1 7 -1 99 345.404 3 ↓
Mid Mid (pH 6-8) 2.46 2.85 -13.12 2 7 0 97 346.412 3 ↓

Analogs

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Popular Name: 3-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonylamino]benzoic 3-[(1,3-dimethylpyrazolo[3,4-b]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) 1.82 4.73 -105.27 0 8 -2 119 344.352 4 ↓
Mid Mid (pH 6-8) 1.82 4.62 -54.88 1 8 -1 117 345.36 4 ↓

Analogs

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Popular Name: N-(5-cyano-2-methyl-phenyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-sulfonamide N-(5-cyano-2-methyl-phenyl)-1,3-…

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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) 2.06 5.33 -41.05 0 7 -1 103 340.388 3 ↓
Lo Low (pH 4.5-6) 2.06 5.26 -14.21 1 7 0 101 341.396 3 ↓

Analogs

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Popular Name: 1,3-dimethyl-N-(2-methylsulfanylphenyl)pyrazolo[3,4-b]pyridine-5-sulfonamide 1,3-dimethyl-N-(2-methylsulfanyl…

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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 5.25 -44.38 0 6 -1 79 347.445 4 ↓
Mid Mid (pH 6-8) 2.31 5.16 -11.73 1 6 0 77 348.453 4 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-N,1,3-trimethyl-pyrazolo[3,4-b]pyridine-5-sulfonamide N-(2,3-dimethylphenyl)-N,1,3-tri…

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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) 2.97 7.14 -11.66 0 6 0 68 344.44 3 ↓

Parameters Provided:

ring.id = 184904
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 = 184904 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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