UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9243446
9243446

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Popular Name: 2-benzyl-6-(4-ethoxyphenyl)-4-methyl-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 2-benzyl-6-(4-ethoxyphenyl)-4-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) 4.07 14.19 -13.77 0 8 0 74 417.469 5 ↓

Analogs

5083251
5083251
5083254
5083254
5083256
5083256

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Popular Name: 4-methyl-6-(o-tolyl)-2-(o-tolylmethyl)-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 4-methyl-6-(o-tolyl)-2-(o-tolylm…

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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) 4.44 16.09 -13.31 0 7 0 65 401.47 3 ↓

Analogs

5083258
5083258
5083264
5083264
10104800
10104800

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Popular Name: 2-[(2-fluorophenyl)methyl]-4-methyl-6-(o-tolyl)-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 2-[(2-fluorophenyl)methyl]-4-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) 4.16 15.2 -13.54 0 7 0 65 405.433 3 ↓

Analogs

12541122
12541122
5083251
5083251
5083254
5083254
5083255
5083255

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzyl-4-methyl-6-(o-tolyl)-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 2-benzyl-4-methyl-6-(o-tolyl)-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) 4.04 15.17 -11.6 0 7 0 65 387.443 3 ↓

Analogs

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Popular Name: 6-(3-methoxyphenyl)-4-methyl-2-(o-tolylmethyl)-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 6-(3-methoxyphenyl)-4-methyl-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) 4.07 14.21 -16.89 0 8 0 74 417.469 4 ↓

Analogs

5083251
5083251
5083255
5083255
10104796
10104796

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Popular Name: 4-methyl-2-(m-tolylmethyl)-6-(o-tolyl)-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 4-methyl-2-(m-tolylmethyl)-6-(o-…

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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) 4.46 15.83 -11.77 0 7 0 65 401.47 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyphenyl)-4-methyl-2-(o-tolylmethyl)-7,8-dihydropurino[8,7-b]imidazole-1,3-dione 6-(2-methoxyphenyl)-4-methyl-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) 4.05 14.53 -14.95 0 8 0 74 417.469 4 ↓

Parameters Provided:

ring.id = 105341
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 = 105341 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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