UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48438893
48438893
22472778
22472778

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Popular Name: N-(2-furylmethyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-(2-furylmethyl)-1,3-dimethyl-p…

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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) 1.68 4.96 -9.71 1 5 0 56 242.282 3 ↓

Analogs

48438893
48438893
22472778
22472778

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Popular Name: 1,3-dimethyl-N-[(5-methyl-2-furyl)methyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(5-methyl-2-fury…

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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) 1.90 5.78 -9.79 1 5 0 56 256.309 3 ↓

Analogs

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Popular Name: N-[(5-bromo-2-furyl)methyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-[(5-bromo-2-furyl)methyl]-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) 2.61 5.69 -9.72 1 5 0 56 321.178 3 ↓

Analogs

44951732
44951732
44951735
44951735
48438893
48438893
22472778
22472778

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-[(1S)-1-(2-furyl)ethyl]-1,3-di…

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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) 2.24 5.64 -9.29 1 5 0 56 256.309 3 ↓

Analogs

44951732
44951732
44951735
44951735
48438893
48438893
22472778
22472778

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-furyl)ethyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-[(1R)-1-(2-furyl)ethyl]-1,3-di…

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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) 2.24 5.64 -9.29 1 5 0 56 256.309 3 ↓

Analogs

48438893
48438893
22472778
22472778

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(1R)-1-(5-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) 2.46 6.47 -9.32 1 5 0 56 270.336 3 ↓

Analogs

48438893
48438893
22472778
22472778

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(1S)-1-(5-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) 2.46 6.47 -9.35 1 5 0 56 270.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-iodo-2-furyl)methyl]-1-isopropyl-pyrazolo[3,4-b]pyridin-5-amine N-[(5-iodo-2-furyl)methyl]-1-iso…

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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) 3.40 7.14 -8.57 1 5 0 56 382.205 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[(5-nitro-2-furyl)methyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[(5-nitro-2-furyl…

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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) 1.76 5.67 -15.26 1 8 0 102 287.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-iodo-2-furyl)methyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-amine N-[(5-iodo-2-furyl)methyl]-1,3-d…

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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) 2.88 6.16 -9.44 1 5 0 56 368.178 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]pyrazolo[3,4-b]pyridin-5-amine 1,3-dimethyl-N-[[5-(methylsulfan…

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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) 2.41 7.01 -11.09 1 5 0 56 302.403 5 ↓

Parameters Provided:

ring.id = 140073
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 = 140073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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