UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11990625
11990625
1290908
1290908

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Popular Name: 5-methyl-3-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]-4-oxo-N-phenyl-thieno[5,4-d]pyrimidine-6-carboxamide 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) 3.83 -0.29 -15.07 1 6 0 81 417.49 5 ↓

Analogs

1290908
1290908
11990624
11990624

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Popular Name: 5-methyl-3-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-4-oxo-N-phenyl-thieno[5,4-d]pyrimidine-6-carboxamide 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) 3.83 -0.29 -14.76 1 6 0 81 417.49 5 ↓

Analogs

11990627
11990627

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Popular Name: 5-methyl-3-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]-N-(o-tolyl)-4-oxo-thieno[5,4-d]pyrimidine-6-carboxam 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) 4.23 0.25 -15 1 6 0 81 431.517 5 ↓

Analogs

11990626
11990626

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Popular Name: 5-methyl-3-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-N-(o-tolyl)-4-oxo-thieno[5,4-d]pyrimidine-6-carboxam 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) 4.23 0.27 -14.75 1 6 0 81 431.517 5 ↓

Analogs

11990629
11990629
1290910
1290910

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Popular Name: N-(2,4-dimethylphenyl)-5-methyl-3-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]-4-oxo-thieno[5,4-d]pyrimidine N-(2,4-dimethylphenyl)-5-methyl-…

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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) 4.65 0.59 -15.09 1 6 0 81 445.544 5 ↓

Analogs

1290910
1290910
11990628
11990628

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Popular Name: N-(2,4-dimethylphenyl)-5-methyl-3-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-4-oxo-thieno[5,4-d]pyrimidine N-(2,4-dimethylphenyl)-5-methyl-…

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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) 4.65 0.59 -14.82 1 6 0 81 445.544 5 ↓

Parameters Provided:

ring.id = 66045
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 = 66045 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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