UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36656563
36656563
36656564
36656564
36656568
36656568
36656570
36656570

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Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(p-tolylmethyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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) 1.96 6.74 -21.21 1 7 0 90 394.456 5 ↓

Analogs

36656564
36656564

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-[(2-chlorophenyl)methyl]-2-[7-…

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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) 2.14 6.48 -22.51 1 7 0 90 414.874 5 ↓

Parameters Provided:

ring.id = 110935
filter.purchasability = annotated
page.format = targets
page.num = 1
CFID = 164989538
CFTOKEN = 49e21f5f5b8438f7-6A043F9C-DE17-5511-A173C45648F2D20D

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 = 110935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=110935&filter.purchasability=annotated

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