UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-bromo-1-[(1S)-1-cyclopropylethyl]pyrazolo[5,4-b]pyridine 5-bromo-1-[(1S)-1-cyclopropyleth…

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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) 2.98 7.42 -5.76 0 3 0 31 266.142 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(1R)-1-cyclopropylethyl]pyrazolo[5,4-b]pyridine 5-bromo-1-[(1R)-1-cyclopropyleth…

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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) 2.98 7.36 -6.12 0 3 0 31 266.142 2 ↓

Analogs

22173514
22173514
22173516
22173516

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Popular Name: 1-[(1S)-1-cyclopropylethyl]-6-ethyl-pyrazolo[3,4-b]pyridine-4-carboxylic 1-[(1S)-1-cyclopropylethyl]-6-et…

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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) 2.54 8.62 -45.97 0 5 -1 71 258.301 4 ↓

Analogs

22173514
22173514
22173516
22173516

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclopropylethyl]-6-ethyl-pyrazolo[3,4-b]pyridine-4-carboxylic 1-[(1R)-1-cyclopropylethyl]-6-et…

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) 2.54 8.53 -45.91 0 5 -1 71 258.301 4 ↓

Parameters Provided:

ring.id = 46559
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 = 46559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=46559&filter.purchasability=annotated

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