UCSF
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Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-1-isopropyl-pyrazolo[3,4-b]pyridin-5-amine N-[(5-bromo-3-thienyl)methyl]-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) 3.46 7.43 -8.27 1 4 0 43 351.273 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 3.01 8.05 -9.21 1 4 0 43 300.431 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 3.01 8.08 -9.17 1 4 0 43 300.431 3 ↓

Analogs

48103476
48103476
48105406
48105406
24033036
24033036
32452089
32452089
12908193
12908193

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Popular Name: 1,3-dimethyl-N-(3-thienylmethyl)pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-(3-thienylmethyl)…

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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) 2.01 5.73 -8.65 1 4 0 43 258.35 3 ↓

Analogs

32452089
32452089
24033036
24033036

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-3-thienyl)methyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-[(5-bromo-3-thienyl)methyl]-1,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.94 6.46 -9.17 1 4 0 43 337.246 3 ↓

Parameters Provided:

ring.id = 116531
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 = 116531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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