UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14007811
14007811

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-(1,3-benzodioxol-5-yl)-2-(2-me…

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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) 3.76 -2.81 -16.94 1 7 0 86 436.518 5 ↓

Analogs

12232780
12232780

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetamide N-(1,3-benzodioxol-5-yl)-2-[2-me…

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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) 4.21 7.9 -19.81 1 7 0 86 450.545 5 ↓

Parameters Provided:

ring.id = 97500
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 = 97500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=97500&filter.purchasability=annotated

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