UCSF
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Analogs

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Popular Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]acetamide N-(6-methylsulfonyl-1,3-benzothi…

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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) 2.73 4.1 -23.62 1 8 0 114 446.535 4 ↓
Ref Reference (pH 7) 1.80 5.37 -27.58 1 8 0 111 446.535 5 ↓

Analogs

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Popular Name: 2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide 2-[6-oxo-3-(2-thienyl)pyridazin-…

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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) 4.83 6.33 -14.66 1 7 0 89 452.439 5 ↓
Ref Reference (pH 7) 3.90 7.62 -18.92 1 7 0 86 452.439 6 ↓

Analogs

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Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]acetamide N-(6-methoxy-1,3-benzothiazol-2-…

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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 5.85 -17.24 1 7 0 89 398.469 4 ↓
Ref Reference (pH 7) 2.99 7.12 -20.96 1 7 0 86 398.469 5 ↓

Parameters Provided:

ring.id = 583339
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 = 583339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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