UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-methyl-4-oxo-3-(4-phenoxybutyl)thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-3-(4-phenoxybutyl…

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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) 3.22 9.78 -61.75 0 6 -1 84 357.411 7 ↓

Analogs

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Popular Name: 2,5,6-trimethyl-3-(4-phenoxybutyl)thieno[3,2-e]pyrimidin-4-one 2,5,6-trimethyl-3-(4-phenoxybuty…

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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) 3.72 10.79 -14.9 0 4 0 44 342.464 6 ↓

Analogs

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Popular Name: 5-methyl-3-[4-(3-methylphenoxy)butyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[4-(3-methylphenoxy)b…

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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) 3.65 10.4 -60.98 0 6 -1 84 371.438 7 ↓

Analogs

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Popular Name: 5-methyl-3-[4-(3-methylphenoxy)butyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 5-methyl-3-[4-(3-methylphenoxy)b…

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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) 2.89 7.62 -21.38 2 6 0 87 371.462 7 ↓

Analogs

31892692
31892692

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Popular Name: 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[4-(4-methylphenoxy)b…

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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) 3.67 10.4 -60.88 0 6 -1 84 371.438 7 ↓

Analogs

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Popular Name: 5-methyl-3-[4-(2-methylphenoxy)butyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[4-(2-methylphenoxy)b…

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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) 3.62 10.46 -60.93 0 6 -1 84 371.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[4-(2-methylphenoxy)butyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 5-methyl-3-[4-(2-methylphenoxy)b…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.68 -21.27 2 6 0 87 371.462 7 ↓

Parameters Provided:

ring.id = 28176
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 = 28176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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