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

Analogs

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Popular Name: 3,7-dimethyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 3,7-dimethyl-1-[2-(1-piperidyl)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) 2.29 2.73 -35.67 1 9 1 84 400.507 4 ↓
Mid Mid (pH 6-8) 2.29 2.92 -77.94 2 9 2 85 401.515 4 ↓

Analogs

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Popular Name: 7-ethyl-3-methyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-ethyl-3-methyl-1-[2-(1-piperid…

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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 2.94 -35.42 1 9 1 84 414.534 5 ↓
Mid Mid (pH 6-8) 2.66 3.1 -77.13 2 9 2 85 415.542 5 ↓

Analogs

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Popular Name: 7-isopropyl-3-methyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-isopropyl-3-methyl-1-[2-(1-pip…

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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) 3.03 3.22 -35.62 1 9 1 84 428.561 5 ↓
Mid Mid (pH 6-8) 3.03 3.38 -76.82 2 9 2 85 429.569 5 ↓

Analogs

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Popular Name: 7-(2-methoxyethyl)-3-methyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-(2-methoxyethyl)-3-methyl-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) 2.27 2.24 -35.91 1 10 1 93 444.56 7 ↓
Mid Mid (pH 6-8) 2.27 2.4 -78.89 2 10 2 95 445.568 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-[2-(1-piperidyl)ethyl]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) 3.06 2.67 -35.13 1 9 1 84 414.534 6 ↓
Mid Mid (pH 6-8) 3.06 2.86 -76.7 2 9 2 85 415.542 6 ↓

Parameters Provided:

ring.id = 97239
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 = 97239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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