UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-isopropyl-N-(thiazol-5-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine 1-isopropyl-N-(thiazol-5-ylmethy…

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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) 2.10 5.08 -9.9 1 5 0 56 273.365 4 ↓

Analogs

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

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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) 1.59 4.11 -10.79 1 5 0 56 259.338 3 ↓

Analogs

37797111
37797111

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Popular Name: 1-isopropyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1-isopropyl-N-[(1R)-1-(4-methylt…

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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) 2.89 6.28 -9.93 1 5 0 56 301.419 4 ↓

Analogs

37797111
37797111

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Popular Name: 1-isopropyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1-isopropyl-N-[(1S)-1-(4-methylt…

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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) 2.89 6.29 -9.94 1 5 0 56 301.419 4 ↓

Analogs

37797436
37797436

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(1S)-1-(4-methyl…

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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) 2.37 5.3 -10.82 1 5 0 56 287.392 3 ↓

Analogs

37797436
37797436

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(1R)-1-(4-methyl…

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) 2.37 5.31 -10.83 1 5 0 56 287.392 3 ↓

Parameters Provided:

ring.id = 153614
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 = 153614 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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