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Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-2-[3-(4-fluoro-2-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetamide N-(1,3-benzothiazol-2-yl)-2-[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) 4.25 7.16 -20.4 1 7 0 89 410.43 4 ↓
Ref Reference (pH 7) 3.32 8.44 -24.95 1 7 0 86 410.43 5 ↓

Analogs

44893493
44893493
44903587
44903587

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Popular Name: 2-[3-(4-fluoro-2-methoxy-phenyl)-6-oxo-pyridazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide 2-[3-(4-fluoro-2-methoxy-phenyl)…

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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) 4.28 6.43 -20.75 1 8 0 99 440.456 5 ↓
Ref Reference (pH 7) 3.35 7.71 -24.09 1 8 0 95 440.456 6 ↓

Analogs

44893493
44893493
44903587
44903587

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-fluoro-4-methoxy-phenyl)-6-oxo-pyridazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide 2-[3-(2-fluoro-4-methoxy-phenyl)…

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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) 4.28 6.17 -23.08 1 8 0 99 440.456 5 ↓
Ref Reference (pH 7) 3.35 7.45 -25.89 1 8 0 95 440.456 6 ↓

Analogs

44903587
44903587

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-2-[3-(2-fluoro-4-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetamide N-(1,3-benzothiazol-2-yl)-2-[3-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.25 6.89 -22.82 1 7 0 89 410.43 4 ↓
Ref Reference (pH 7) 3.32 8.17 -26.77 1 7 0 86 410.43 5 ↓

Parameters Provided:

ring.id = 583118
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 = 583118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=583118&filter.purchasability=annotated

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