UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-(3-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide N-[4-(3-methylphenoxy)phenyl]-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) 3.79 10.33 -23.62 1 6 0 73 391.452 5 ↓

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[(4-phenoxyphenyl)amino]ethyl]thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-3-[2-oxo-2-[(4-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) 3.56 9.97 -69.56 1 8 -1 113 434.453 6 ↓

Analogs

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Popular Name: 5-methyl-3-[(1S)-1-methyl-2-oxo-2-[(4-phenoxyphenyl)amino]ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-car 5-methyl-3-[(1S)-1-methyl-2-oxo-…

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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) 3.92 9.85 -62.19 1 8 -1 113 448.48 6 ↓

Analogs

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Popular Name: 5-methyl-3-[(1R)-1-methyl-2-oxo-2-[(4-phenoxyphenyl)amino]ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-car 5-methyl-3-[(1R)-1-methyl-2-oxo-…

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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) 3.92 9.81 -62.56 1 8 -1 113 448.48 6 ↓

Analogs

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Popular Name: 5-methyl-3-[2-[[4-(4-methylphenoxy)phenyl]amino]-2-oxo-ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 5-methyl-3-[2-[[4-(4-methylpheno…

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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) 4.01 10.65 -69.56 1 8 -1 113 448.48 6 ↓

Analogs

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Popular Name: 3-[2-[[4-(4-ethoxyphenoxy)phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 3-[2-[[4-(4-ethoxyphenoxy)phenyl…

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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) 3.99 10.17 -70 1 9 -1 123 478.506 8 ↓

Analogs

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Popular Name: 3-[2-[[4-(2-chlorophenoxy)phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 3-[2-[[4-(2-chlorophenoxy)phenyl…

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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) 4.19 10.5 -71.35 1 8 -1 113 468.898 6 ↓

Analogs

1961268
1961268
1961278
1961278
1961285
1961285
1961296
1961296
1961307
1961307

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Popular Name: 4-keto-3-[2-keto-2-(4-phenoxyanilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic-acid-isobu 4-keto-3-[2-keto-2-(4-phenoxyani…

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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) 4.94 1.45 -24.15 1 8 0 99 491.569 9 ↓

Parameters Provided:

ring.id = 28131
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 = 28131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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