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Analogs

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Popular Name: 2-(2,4-dimethyl-5-phenyl-imidazo[5,1-f]pyridazin-7-yl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)acetam 2-(2,4-dimethyl-5-phenyl-imidazo…

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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) 3.66 6.75 -26.2 3 8 0 119 481.603 6 ↓

Analogs

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Popular Name: 2-(2,4-dimethyl-5-phenyl-imidazo[5,1-f]pyridazin-7-yl)sulfanyl-N-(2,3-dimethyl-5-sulfamoyl-phenyl)ac 2-(2,4-dimethyl-5-phenyl-imidazo…

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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) 4.03 7.19 -30.56 3 8 0 119 495.63 6 ↓

Analogs

21722491
21722491
21722660
21722660

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Popular Name: N-(cyanomethyl)-2-(2,4-dimethyl-5-phenyl-imidazo[5,1-f]pyridazin-7-yl)sulfanyl-N-phenyl-acetamide N-(cyanomethyl)-2-(2,4-dimethyl-…

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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) 4.62 13.45 -23.53 0 6 0 74 427.533 6 ↓
Mid Mid (pH 6-8) 4.62 13.87 -44.03 1 6 1 76 428.541 6 ↓

Parameters Provided:

ring.id = 41476
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 = 41476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41476&filter.purchasability=annotated

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