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5083555
5083555

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Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-4-oxo-4-phenyl-butanamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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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) 3.31 10.77 -20.83 1 5 0 64 377.469 6 ↓
Lo Low (pH 4.5-6) 3.31 11.21 -36.11 2 5 1 65 378.477 6 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)-N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-4-oxo-butanamide 4-(4-chlorophenyl)-N-[4-(2,3-dih…

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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) 3.99 11.28 -20.19 1 5 0 64 411.914 6 ↓
Lo Low (pH 4.5-6) 3.99 11.72 -35.96 2 5 1 65 412.922 6 ↓

Parameters Provided:

ring.id = 599709
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 = 599709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=599709&filter.purchasability=annotated

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