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Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(4-fluorophenyl)methyl]-4,5,6…

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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) 2.80 6.39 -46.37 2 2 1 29 249.334 2 ↓
Mid Mid (pH 6-8) 2.80 5.02 -6.97 1 2 0 25 248.326 2 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(3-chlorophenyl)methyl]-4,5,6…

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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) 3.29 6.85 -46.21 2 2 1 29 265.789 2 ↓
Mid Mid (pH 6-8) 3.29 5.46 -7.25 1 2 0 25 264.781 2 ↓

Analogs

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Popular Name: 2-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(4-bromophenyl)methyl]-4,5,6,…

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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) 3.45 6.96 -45.71 2 2 1 29 310.24 2 ↓
Mid Mid (pH 6-8) 3.45 5.58 -6.33 1 2 0 25 309.232 2 ↓

Analogs

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Popular Name: 2-[(2,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(2,4-dichlorophenyl)methyl]-4…

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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) 3.92 7.36 -45.67 2 2 1 29 300.234 2 ↓
Mid Mid (pH 6-8) 3.92 5.97 -6.93 1 2 0 25 299.226 2 ↓

Analogs

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Popular Name: 2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(3-fluorophenyl)methyl]-4,5,6…

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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) 2.78 6.4 -47.19 2 2 1 29 249.334 2 ↓
Mid Mid (pH 6-8) 2.78 5.02 -8.12 1 2 0 25 248.326 2 ↓

Analogs

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Popular Name: 2-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(3-methoxyphenyl)methyl]-4,5,…

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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) 2.67 5.64 -47.22 2 3 1 39 261.37 3 ↓
Mid Mid (pH 6-8) 2.67 4.25 -8.82 1 3 0 34 260.362 3 ↓

Analogs

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Popular Name: 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(2-chlorophenyl)methyl]-4,5,6…

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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) 3.27 6.7 -44.32 2 2 1 29 265.789 2 ↓
Mid Mid (pH 6-8) 3.27 5.32 -6.01 1 2 0 25 264.781 2 ↓

Analogs

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Popular Name: 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(2-fluorophenyl)methyl]-4,5,6…

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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) 2.75 6.38 -44.99 2 2 1 29 249.334 2 ↓
Mid Mid (pH 6-8) 2.75 4.99 -6.52 1 2 0 25 248.326 2 ↓

Analogs

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Popular Name: 2-[(3,4-dichlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(3,4-dichlorophenyl)methyl]-4…

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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) 3.92 7.31 -47.2 2 2 1 29 300.234 2 ↓
Mid Mid (pH 6-8) 3.92 5.92 -7.62 1 2 0 25 299.226 2 ↓

Analogs

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Popular Name: 2-(o-tolylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(o-tolylmethyl)-4,5,6,7-tetrah…

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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) 3.04 6.72 -45.38 2 2 1 29 245.371 2 ↓
Mid Mid (pH 6-8) 3.04 5.33 -6.64 1 2 0 25 244.363 2 ↓

Analogs

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Popular Name: 2-[(2,6-dichlorophenyl)methyl]-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-[(2,6-dichlorophenyl)methyl]-4…

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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) 3.90 7.18 -44.71 2 2 1 29 300.234 2 ↓
Mid Mid (pH 6-8) 3.90 5.8 -6.3 1 2 0 25 299.226 2 ↓

Analogs

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Popular Name: 2-(1-ethyl-1-phenyl-propyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(1-ethyl-1-phenyl-propyl)-4,5,…

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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) 4.07 7.73 -43.36 2 2 1 29 287.452 4 ↓
Mid Mid (pH 6-8) 4.07 7.32 -5.77 1 2 0 25 286.444 4 ↓

Parameters Provided:

ring.id = 44876
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 = 44876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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