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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38484990
38484990
38485232
38485232
11666169
11666169
11666171
11666171
9661376
9661376

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Popular Name: 7-(4-benzylpiperazine-1-carbonyl)-5-methyl-2-phenyl-pyrazolo[5,4-d]pyridin-3-one 7-(4-benzylpiperazine-1-carbonyl…

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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) 1.79 9.62 -32.18 0 7 0 63 427.508 4 ↓

Analogs

38485022
38485022
9661481
9661481

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Popular Name: 7-(4-benzylpiperazine-1-carbonyl)-5-ethyl-2-phenyl-pyrazolo[5,4-d]pyridin-3-one 7-(4-benzylpiperazine-1-carbonyl…

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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) 2.17 10.5 -30.67 0 7 0 63 441.535 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-benzylpiperazine-1-carbonyl)-2-phenyl-5-propyl-pyrazolo[5,4-d]pyridin-3-one 7-(4-benzylpiperazine-1-carbonyl…

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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) 2.67 11.27 -29.96 0 7 0 63 455.562 6 ↓

Analogs

38485316
38485316
17041289
17041289
11666213
11666213
11666214
11666214

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-benzylpiperazine-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-pyrazolo[5,4-d]pyridin-3-one 7-(4-benzylpiperazine-1-carbonyl…

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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) 1.78 9.55 -29.39 0 8 0 73 471.561 7 ↓

Analogs

38485109
38485109
38485110
38485110
38485365
38485365
38485367
38485367
11666223
11666223

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-benzylpiperazine-1-carbonyl)-5-(3-methoxypropyl)-2-phenyl-pyrazolo[5,4-d]pyridin-3-one 7-(4-benzylpiperazine-1-carbonyl…

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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) 2.05 10.33 -32.16 0 8 0 73 485.588 8 ↓

Parameters Provided:

ring.id = 113442
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 = 113442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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