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Analogs

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Popular Name: N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydrothiazol-2-ylsulfanyl)acetamide N-(1,2-dihydroimidazo[2,1-b][1,3…

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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) 3.19 5 -37.47 2 5 1 60 351.502 4 ↓
Mid Mid (pH 6-8) 3.19 4 -14.03 1 5 0 59 350.494 4 ↓
Lo Low (pH 4.5-6) 3.19 5.94 -82.07 3 5 2 62 352.51 4 ↓

Analogs

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Popular Name: 2-[(5-amino-2H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)aceta 2-[(5-amino-2H-1,2,4-triazol-3-y…

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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) 2.17 5.51 -43.72 5 8 1 116 348.437 4 ↓
Mid Mid (pH 6-8) 2.17 4.5 -20.56 4 8 0 114 347.429 4 ↓

Analogs

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Popular Name: N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide N-(1,2-dihydroimidazo[2,1-b][1,3…

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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) 2.36 5.8 -45.93 3 7 1 90 333.422 4 ↓
Mid Mid (pH 6-8) 2.36 4.81 -22.23 2 7 0 88 332.414 4 ↓

Analogs

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Popular Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)aceta 2-[(5-amino-1,3,4-thiadiazol-2-y…

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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) 2.91 4.12 -41.58 4 7 1 100 365.489 4 ↓
Mid Mid (pH 6-8) 2.91 3.11 -18.46 3 7 0 98 364.481 4 ↓

Analogs

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Popular Name: 4-[(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylamino)methyl]-5-(hydroxymethyl)-2-methyl-pyridin- 4-[(1,2-dihydroimidazo[2,1-b][1,…

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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) 2.62 2.86 -41.13 4 6 1 88 343.432 4 ↓
Hi High (pH 8-9.5) 2.62 1.32 -42.54 2 6 -1 86 341.416 4 ↓
Hi High (pH 8-9.5) 2.62 0.69 -15.91 3 6 0 83 342.424 4 ↓

Analogs

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Popular Name: 4-[(E)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yliminomethyl]-5-(hydroxymethyl)-2-methyl-pyridi 4-[(E)-1,2-dihydroimidazo[2,1-b]…

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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) 3.73 2.79 -34.89 3 6 1 85 341.416 3 ↓
Hi High (pH 8-9.5) 3.73 2.51 -47.37 1 6 -1 86 339.4 3 ↓
Mid Mid (pH 6-8) 3.73 1.74 -12.97 2 6 0 83 340.408 3 ↓

Parameters Provided:

ring.id = 73183
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 = 73183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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