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Popular Name: (4E)-2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-4-[[2-(1H-imidazol-5-yl)ethylamino]methylene]-5-(tri (4E)-2-[(2S)-2,3-dihydro-1,3-ben…

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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) 2.39 7.4 -52.41 4 7 1 89 409.417 6 ↓
Mid Mid (pH 6-8) 2.39 6.94 -15.65 3 7 0 88 408.409 6 ↓

Analogs

39702846
39702846

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Popular Name: (4Z)-2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-4-[[2-(1H-imidazol-5-yl)ethylamino]methylene]-5-meth (4Z)-2-[(2S)-2,3-dihydro-1,3-ben…

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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) 1.48 6.86 -55.22 4 7 1 89 355.447 5 ↓
Mid Mid (pH 6-8) 1.48 6.4 -19.75 3 7 0 88 354.439 5 ↓

Parameters Provided:

ring.id = 100096
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 = 100096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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