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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: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-3,7…

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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) 0.85 8.82 -9.84 0 10 0 92 387.444 4 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-7-e…

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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) 1.23 9.6 -10 0 10 0 92 401.471 5 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholinoethyl)-7-propyl-purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-3-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) 1.73 10.35 -9.84 0 10 0 92 415.498 6 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-7-i…

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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) 1.59 10.29 -9.43 0 10 0 92 415.498 5 ↓

Analogs

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Popular Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione 7-butyl-8-(3,5-dimethylpyrazol-1…

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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) 2.29 11.13 -9.77 0 10 0 92 429.525 7 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-7-i…

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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) 1.97 10.71 -9.49 0 10 0 92 429.525 6 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopentyl-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-7-i…

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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) 2.50 11.8 -9.33 0 10 0 92 443.552 7 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-7-(…

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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) 0.83 8.81 -10.42 0 11 0 101 431.497 7 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-7-(…

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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) 1.21 9.62 -10.6 0 11 0 101 445.524 8 ↓

Analogs

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Popular Name: 3,7-dimethyl-1-(2-morpholinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 3,7-dimethyl-1-(2-morpholinoethy…

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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) 1.23 9.48 -10.01 0 10 0 92 401.471 4 ↓

Analogs

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Popular Name: 7-isopropyl-3-methyl-1-(2-morpholinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-isopropyl-3-methyl-1-(2-morpho…

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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) 1.96 10.95 -9.57 0 10 0 92 429.525 5 ↓

Analogs

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Popular Name: 7-butyl-3-methyl-1-(2-morpholinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-butyl-3-methyl-1-(2-morpholino…

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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) 2.66 11.77 -9.82 0 10 0 92 443.552 7 ↓

Analogs

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Popular Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-(2-morpholinoethyl)purine-2,6-dione 8-(3,5-diethylpyrazol-1-yl)-3,7-…

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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) 1.99 10.26 -9.53 0 10 0 92 415.498 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-1-(2-morpholinoethyl)-7-propyl-purine-2,6-dione 8-(3,5-diethylpyrazol-1-yl)-3-me…

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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) 2.87 11.96 -9.35 0 10 0 92 443.552 8 ↓

Parameters Provided:

ring.id = 125782
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 = 125782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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