UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[[4-(2-oxopyrrolidin-1-yl)phen…

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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) 2.76 12.12 -20.4 0 6 0 64 417.49 4 ↓

Analogs

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Popular Name: 3-(o-tolyl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-[[4-(2-oxopyrrolid…

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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) 3.37 13.19 -20.43 0 6 0 64 431.517 4 ↓

Analogs

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Popular Name: 3-(m-tolyl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(m-tolyl)-1-[[4-(2-oxopyrrolid…

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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) 3.39 12.8 -20.56 0 6 0 64 431.517 4 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(2-fluorophenyl)-1-[[4-(2-oxop…

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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) 3.08 12.27 -22.57 0 6 0 64 435.48 4 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(3-fluorophenyl)-1-[[4-(2-oxop…

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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) 3.11 12.19 -20.11 0 6 0 64 435.48 4 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(4-chlorophenyl)-1-[[4-(2-oxop…

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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) 3.43 12.61 -17.74 0 6 0 64 451.935 4 ↓

Parameters Provided:

ring.id = 512012
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 = 512012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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