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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3,5-dimethylisoxazol-4-yl)-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone (3,5-dimethylisoxazol-4-yl)-[3-(…

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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) 0.41 4.97 -37.81 2 7 1 85 302.358 3 ↓
Mid Mid (pH 6-8) 0.41 4.85 -13.53 1 7 0 84 301.35 3 ↓
Mid Mid (pH 6-8) 0.41 5.03 -37.41 2 7 1 85 302.358 3 ↓

Analogs

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Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(3-ethyl-5-methyl-isoxazol-4-yl)methanon [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 0.98 5.71 -37.84 2 7 1 85 316.385 4 ↓
Mid Mid (pH 6-8) 0.98 5.77 -37.3 2 7 1 85 316.385 4 ↓
Mid Mid (pH 6-8) 0.98 5.59 -12.57 1 7 0 84 315.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(5-isopropyl-3-methyl-isoxazol-4-yl)meth [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 1.47 6.35 -37.45 2 7 1 85 330.412 4 ↓
Mid Mid (pH 6-8) 1.47 6.23 -12.57 1 7 0 84 329.404 4 ↓
Mid Mid (pH 6-8) 1.47 6.41 -36.96 2 7 1 85 330.412 4 ↓

Parameters Provided:

ring.id = 507865
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 = 507865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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