UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12395905
12395905

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Popular Name: ethyl ethyl

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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) 2.53 9.04 -13.18 0 5 0 57 309.316 6 ↓

Analogs

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Popular Name: 1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-sulfamoylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide 1-tert-butyl-6-cyclopropyl-3-met…

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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) 0.91 2.25 -23.61 3 8 0 120 379.486 6 ↓

Analogs

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Popular Name: 6-cyclopropyl-1-isopropyl-N-(2-methoxyethyl)pyrazolo[5,4-b]pyridine-4-carboxamide 6-cyclopropyl-1-isopropyl-N-(2-m…

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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) 1.44 5.4 -11.25 1 6 0 69 302.378 6 ↓

Analogs

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Popular Name: 6-cyclopropyl-1-methyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-3-amine 6-cyclopropyl-1-methyl-4-(triflu…

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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) 2.03 5.79 -6.28 2 4 0 57 256.231 2 ↓

Analogs

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Popular Name: 1-tert-butyl-6-cyclopropyl-N,N,3-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide 1-tert-butyl-6-cyclopropyl-N,N,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) 1.90 8.09 -10.94 0 5 0 51 300.406 3 ↓

Analogs

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Popular Name: 6-cyclopropyl-N-ethyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide 6-cyclopropyl-N-ethyl-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) 1.32 5.23 -10.68 1 5 0 60 258.325 3 ↓

Parameters Provided:

ring.id = 32816
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 = 32816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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