UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44895978
44895978
48340617
48340617
32899811
32899811
32899812
32899812
24465006
24465006

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Popular Name: 1,3-dimethyl-N-[(1S)-1-(1-methylcyclopropyl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(1S)-1-(1-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) 2.84 6.62 -7.58 1 4 0 43 244.342 3 ↓

Analogs

44895978
44895978
48340617
48340617
32899811
32899811
32899812
32899812
24465006
24465006

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(1R)-1-(1-methylcyclopropyl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(1R)-1-(1-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) 2.84 6.62 -7.59 1 4 0 43 244.342 3 ↓

Analogs

44895978
44895978
48340617
48340617
32899811
32899811
32899812
32899812
24465006
24465006

Draw Identity 99% 90% 80% 70%

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

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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) 2.89 5.85 -7.68 1 4 0 43 230.315 3 ↓

Analogs

44895978
44895978
48340617
48340617
32899811
32899811
32899812
32899812
24465006
24465006

Draw Identity 99% 90% 80% 70%

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

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) 2.89 5.88 -7.66 1 4 0 43 230.315 3 ↓

Analogs

44895978
44895978
48438894
48438894
32899811
32899811
32899812
32899812
24465006
24465006

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-amine N-(cyclopropylmethyl)-1,3-dimeth…

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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) 1.89 5.39 -7.92 1 4 0 43 216.288 3 ↓

Parameters Provided:

ring.id = 140113
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 = 140113 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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