UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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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) 3.28 9.67 -21.27 0 6 0 62 378.409 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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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) 3.90 10.75 -21.49 0 6 0 62 392.436 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(m-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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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 10.34 -21.52 0 6 0 62 392.436 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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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) 3.61 9.83 -23.12 0 6 0 62 396.399 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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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) 3.63 9.73 -21.34 0 6 0 62 396.399 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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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) 3.96 10.18 -18.9 0 6 0 62 412.854 3 ↓

Parameters Provided:

ring.id = 512010
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 = 512010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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