UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27905277
27905277
27905283
27905283
27905288
27905288
27905295
27905295

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Popular Name: 1,6-dimethyl-4-[(3R)-3-propoxypiperidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one 1,6-dimethyl-4-[(3R)-3-propoxypi…

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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) 0.83 5.37 -19.71 1 7 0 80 332.404 4 ↓

Analogs

27905277
27905277
27905283
27905283
27905288
27905288
27905295
27905295

Draw Identity 99% 90% 80% 70%

Popular Name: 1,6-dimethyl-4-[(3S)-3-propoxypiperidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one 1,6-dimethyl-4-[(3S)-3-propoxypi…

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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) 0.83 5.37 -18.02 1 7 0 80 332.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-(dimethylamino)piperidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one 4-[(3S)-3-(dimethylamino)piperid…

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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) 0.00 5.62 -47.92 2 7 1 75 318.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-(dimethylamino)piperidine-1-carbonyl]-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one 4-[(3R)-3-(dimethylamino)piperid…

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) 0.00 5.63 -47.71 2 7 1 75 318.401 2 ↓

Parameters Provided:

ring.id = 404787
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 = 404787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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