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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-phenethyl-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) 2.78 2.88 -9.45 0 8 0 80 378.436 4 ↓
Mid Mid (pH 6-8) 2.78 3.06 -32.9 1 8 1 81 379.444 4 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-phenethyl-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) 3.15 3.05 -9.32 0 8 0 80 392.463 5 ↓
Mid Mid (pH 6-8) 3.15 3.24 -32.14 1 8 1 81 393.471 5 ↓

Analogs

12231627
12231627
12231824
12231824

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-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) 3.66 3.15 -9.19 0 8 0 80 406.49 6 ↓
Mid Mid (pH 6-8) 3.66 3.31 -31.93 1 8 1 81 407.498 6 ↓

Analogs

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-phenethyl-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) 3.52 3.37 -8.92 0 8 0 80 406.49 5 ↓
Mid Mid (pH 6-8) 3.52 3.53 -31.41 1 8 1 81 407.498 5 ↓

Analogs

12231654
12231654

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Popular Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-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) 4.22 3.24 -9.11 0 8 0 80 420.517 7 ↓
Mid Mid (pH 6-8) 4.22 3.43 -32.17 1 8 1 81 421.525 7 ↓

Analogs

12231824
12231824
12231491
12231491

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-1-phenethyl-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) 3.90 3.33 -9 0 8 0 80 420.517 6 ↓
Mid Mid (pH 6-8) 3.90 3.52 -31.66 1 8 1 81 421.525 6 ↓

Analogs

12231576
12231576

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopentyl-3-methyl-1-phenethyl-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) 4.43 3.55 -8.95 0 8 0 80 434.544 7 ↓
Mid Mid (pH 6-8) 4.43 3.74 -32.02 1 8 1 81 435.552 7 ↓

Analogs

12231903
12231903

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-phenethyl-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) 2.76 2.35 -10 0 9 0 89 422.489 7 ↓
Mid Mid (pH 6-8) 2.76 2.54 -34.01 1 9 1 90 423.497 7 ↓

Analogs

12231868
12231868

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Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-phenethyl-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) 3.14 2.34 -9.9 0 9 0 89 436.516 8 ↓
Mid Mid (pH 6-8) 3.14 2.52 -33.92 1 9 1 90 437.524 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-methoxyethyl)-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-(2-methoxyethyl)-3-methyl-1-ph…

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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) 3.14 2.68 -10.02 0 9 0 89 436.516 7 ↓
Mid Mid (pH 6-8) 3.14 2.84 -33.29 1 9 1 90 437.524 7 ↓

Parameters Provided:

ring.id = 96974
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 = 96974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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