UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-bromo-1-cyclopentyl-1H-pyrazolo[3,4-b]pyridine 5-bromo-1-cyclopentyl-1H-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) 3.15 7.21 -5.53 0 3 0 31 266.142 1 ↓

Analogs

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Popular Name: 1-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide 1-cyclopentyl-N-[(2S)-2-(dimethy…

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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) 1.73 7.62 -46.34 2 6 1 64 316.429 5 ↓
Hi High (pH 8-9.5) 1.73 5.29 -8.89 1 6 0 63 315.421 5 ↓

Analogs

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Popular Name: 1-cyclopentyl-N-[(2R)-2-(dimethylamino)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide 1-cyclopentyl-N-[(2R)-2-(dimethy…

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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) 1.73 7.59 -46.6 2 6 1 64 316.429 5 ↓
Hi High (pH 8-9.5) 1.73 5.31 -8.66 1 6 0 63 315.421 5 ↓

Analogs

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Popular Name: 1-cyclopentyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-5-carboxamide 1-cyclopentyl-N-methyl-N-(3,3,3-…

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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) 2.34 8.58 -12.57 0 5 0 51 340.349 5 ↓

Analogs

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Popular Name: 1-cyclopentyl-6-ethyl-pyrazolo[3,4-b]pyridine-4-carboxylic 1-cyclopentyl-6-ethyl-pyrazolo[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) 2.71 8.42 -45.71 0 5 -1 71 258.301 3 ↓

Analogs

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Popular Name: 1-cyclopentyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic 1-cyclopentyl-6-methyl-pyrazolo[…

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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 7.75 -45.42 0 5 -1 71 244.274 2 ↓

Parameters Provided:

ring.id = 47727
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 = 47727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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