UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-bromo-1-[(3-methyl-2-thienyl)methyl]pyrazolo[5,4-b]pyridine 5-bromo-1-[(3-methyl-2-thienyl)m…

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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) 3.62 8.28 -6.38 0 3 0 31 308.204 2 ↓

Analogs

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Popular Name: 6-ethyl-1-[(3-methyl-2-thienyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic 6-ethyl-1-[(3-methyl-2-thienyl)m…

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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) 3.18 9.4 -46.03 0 5 -1 71 300.363 4 ↓

Analogs

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Popular Name: 6-ethyl-1-[(5-methyl-2-thienyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic 6-ethyl-1-[(5-methyl-2-thienyl)m…

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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) 3.02 9.32 -46.31 0 5 -1 71 300.363 4 ↓

Analogs

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Popular Name: 6-methyl-1-[(3-methyl-2-thienyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic 6-methyl-1-[(3-methyl-2-thienyl)…

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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) 2.61 8.77 -45.47 0 5 -1 71 286.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[(5-methyl-2-thienyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic 6-methyl-1-[(5-methyl-2-thienyl)…

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) 2.45 8.67 -46.34 0 5 -1 71 286.336 3 ↓

Parameters Provided:

ring.id = 32818
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 = 32818 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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