UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carb 4-[(2,4-dioxo-1H-thieno[3,2-d]py…

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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) 3.82 8.84 -18.45 2 6 0 84 451.47 5 ↓
Hi High (pH 8-9.5) 4.27 7.72 -44.87 1 6 -1 87 450.462 5 ↓

Analogs

4169974
4169974

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Popular Name: 4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide 4-[(2,4-dioxo-1H-thieno[3,2-d]py…

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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) 3.33 8.07 -18.73 2 7 0 93 427.526 6 ↓
Hi High (pH 8-9.5) 3.79 6.95 -50.43 1 7 -1 96 426.518 6 ↓

Parameters Provided:

ring.id = 68140
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 = 68140 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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