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

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Popular Name: 1-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[(4-methylsulfonylpip…

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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) -1.29 0.31 -19.4 1 9 0 104 326.382 3 ↓
Lo Low (pH 4.5-6) -1.29 2.5 -66.06 2 9 1 105 327.39 3 ↓

Analogs

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Popular Name: methyl 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) -0.82 2.52 -17.22 1 9 0 96 306.326 3 ↓
Mid Mid (pH 6-8) -0.82 4.7 -65.52 2 9 1 98 307.334 3 ↓
Mid Mid (pH 6-8) -0.36 2.07 -53.32 1 9 0 101 306.326 3 ↓

Analogs

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Popular Name: 1-methyl-6-[[4-(4-methylpentanoyl)piperazin-1-yl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[4-(4-methylpentanoy…

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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) 0.58 5.53 -18.9 1 8 0 87 346.435 5 ↓
Mid Mid (pH 6-8) 0.58 7.72 -68.21 2 8 1 88 347.443 5 ↓
Mid Mid (pH 6-8) 1.04 5.1 -57.3 1 8 0 91 346.435 5 ↓

Analogs

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Popular Name: 6-[(4-butanoylpiperazin-1-yl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-butanoylpiperazin-1-yl)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) 0.09 4.25 -18.91 1 8 0 87 318.381 4 ↓
Mid Mid (pH 6-8) 0.55 3.81 -56.94 1 8 0 91 318.381 4 ↓
Lo Low (pH 4.5-6) 0.09 6.43 -67.69 2 8 1 88 319.389 4 ↓

Analogs

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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) -0.22 3.45 -16.99 1 9 0 96 320.353 4 ↓
Mid Mid (pH 6-8) 0.24 3.03 -52.8 1 9 0 101 320.353 4 ↓
Lo Low (pH 4.5-6) -0.22 5.63 -65.21 2 9 1 98 321.361 4 ↓

Analogs

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Popular Name: 6-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[4-(2-ethylbutanoyl)piperazin…

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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) 0.78 4.99 -18.68 1 8 0 87 346.435 5 ↓
Mid Mid (pH 6-8) 1.24 4.57 -57.01 1 8 0 91 346.435 5 ↓
Lo Low (pH 4.5-6) 0.78 7.44 -68.33 2 8 1 88 347.443 5 ↓

Parameters Provided:

ring.id = 24961
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 = 24961 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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