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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

41529279
41529279
11568659
11568659

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methylpiperazin-1-yl)-1-(2-pyridyl)pyrazolo[3,4-d]pyrimidine 4-(4-methylpiperazin-1-yl)-1-(2-…

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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) 1.00 9.31 -48.75 1 7 1 64 296.358 2 ↓
Mid Mid (pH 6-8) 1.00 6.95 -11.98 0 7 0 63 295.35 2 ↓

Analogs

11568659
11568659
41529276
41529276

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethylpiperazin-1-yl)-1-(2-pyridyl)pyrazolo[3,4-d]pyrimidine 4-(4-ethylpiperazin-1-yl)-1-(2-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) 1.38 9.97 -47.33 1 7 1 64 310.385 3 ↓
Mid Mid (pH 6-8) 1.38 7.75 -11.77 0 7 0 63 309.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.45 9.1 -15.37 0 9 0 89 353.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methylsulfonylpiperazin-1-yl)-1-(2-pyridyl)pyrazolo[3,4-d]pyrimidine 4-(4-methylsulfonylpiperazin-1-y…

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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) 0.38 5.91 -21.96 0 9 0 97 359.415 3 ↓

Parameters Provided:

ring.id = 544133
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 = 544133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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