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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(4-ethoxyphenyl)-2-isobutyl-4-methyl-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 6-(4-ethoxyphenyl)-2-isobutyl-4-…

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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) 3.60 12.27 -13.14 0 8 0 74 383.452 5 ↓

Analogs

12547966
12547966
12532163
12532163
3015900
3015900

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Popular Name: 6-(3,4-dimethylphenyl)-2-isopentyl-4-methyl-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 6-(3,4-dimethylphenyl)-2-isopent…

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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) 4.52 14.25 -11.87 0 7 0 65 381.48 4 ↓

Analogs

725300
725300

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Popular Name: 2-[(E)-3-chlorobut-2-enyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 2-[(E)-3-chlorobut-2-enyl]-6-(4-…

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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) 3.33 12.17 -13.59 0 8 0 74 401.854 4 ↓

Parameters Provided:

ring.id = 105368
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 = 105368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=105368&filter.purchasability=annotated

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