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Analogs

36233236
36233236

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Popular Name: 5-bromo-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)pyridine-3-sulfonamide 5-bromo-N-(4,5,6,7-tetrahydrothi…

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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) 2.65 2.15 -60.26 3 6 1 92 376.281 2 ↓
Hi High (pH 8-9.5) 1.72 0.27 -41.89 1 6 -1 86 374.265 3 ↓
Mid Mid (pH 6-8) 1.72 1.68 -60.9 2 6 0 91 375.273 3 ↓

Analogs

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Popular Name: 2-fluoro-5-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)sulfamoyl]benzoic 2-fluoro-5-[(5-methyl-6,7-dihydr…

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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) 2.67 3.72 -59.56 1 7 -1 106 370.407 3 ↓
Hi High (pH 8-9.5) 1.74 4.52 -113.45 1 7 -1 106 370.407 4 ↓
Mid Mid (pH 6-8) 2.67 6.15 -94.28 2 7 0 107 371.415 3 ↓

Analogs

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Popular Name: N-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide N-(5-benzyl-6,7-dihydro-4H-thiaz…

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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) 4.41 9.19 -57.71 2 5 1 67 386.522 4 ↓
Hi High (pH 8-9.5) 3.48 6.4 -51.99 0 5 -1 64 384.506 5 ↓
Mid Mid (pH 6-8) 3.48 8.67 -61.77 1 5 0 66 385.514 5 ↓

Analogs

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Popular Name: 4-bromo-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide 4-bromo-N-(5-methyl-6,7-dihydro-…

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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) 3.82 3.76 -11.8 1 5 0 66 388.312 2 ↓
Mid Mid (pH 6-8) 3.82 6.19 -54.33 2 5 1 67 389.32 2 ↓
Mid Mid (pH 6-8) 2.89 3.26 -43.32 0 5 -1 64 387.304 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide 3,5-dimethyl-N-(4,5,6,7-tetrahyd…

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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) 3.59 4.66 -61.84 3 5 1 79 324.451 2 ↓
Mid Mid (pH 6-8) 3.59 3.27 -14.87 2 5 0 74 323.443 2 ↓
Mid Mid (pH 6-8) 2.66 4.19 -68.06 2 5 0 78 323.443 3 ↓

Analogs

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Popular Name: N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)cyclohexanesulfonamide N-(4,5,6,7-tetrahydrothiazolo[5,…

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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) 3.13 3.7 -59.61 3 5 1 79 302.445 2 ↓
Hi High (pH 8-9.5) 3.14 2.32 -13.71 2 5 0 74 301.437 2 ↓
Mid Mid (pH 6-8) 2.21 1.82 -47.25 1 5 -1 73 300.429 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.09 1.06 -65.33 3 7 1 105 292.362 4 ↓
Hi High (pH 8-9.5) 0.16 -0.85 -48.29 1 7 -1 99 290.346 5 ↓
Mid Mid (pH 6-8) 0.16 0.54 -67.8 2 7 0 104 291.354 5 ↓

Parameters Provided:

ring.id = 6608
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 = 6608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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