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Analogs

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

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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) 2.98 5.85 -48.08 2 2 1 29 235.307 1 ↓
Mid Mid (pH 6-8) 2.98 4.25 -7.91 1 2 0 25 234.299 1 ↓

Analogs

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

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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) 3.03 5.71 -46.7 2 2 1 29 235.307 1 ↓
Mid Mid (pH 6-8) 3.03 4.34 -5.43 1 2 0 25 234.299 1 ↓

Analogs

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Popular Name: 2-(3-bromophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(3-bromophenyl)-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) 3.65 6.25 -46.02 2 2 1 29 296.213 1 ↓
Mid Mid (pH 6-8) 3.65 4.89 -6.53 1 2 0 25 295.205 1 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine 2-(3-chlorophenyl)-4H,5H,6H,7H-[…

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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) 3.52 6.15 -46.06 2 2 1 29 251.762 1 ↓
Mid Mid (pH 6-8) 3.52 4.79 -6.55 1 2 0 25 250.754 1 ↓

Analogs

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Popular Name: 2-(4-Bromophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(4-Bromophenyl)-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) 3.67 6.26 -46.38 2 2 1 29 296.213 1 ↓
Mid Mid (pH 6-8) 3.67 4.9 -5.07 1 2 0 25 295.205 1 ↓

Analogs

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

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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) 3.00 5.71 -46.65 2 2 1 29 235.307 1 ↓
Mid Mid (pH 6-8) 3.00 4.34 -7.22 1 2 0 25 234.299 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(2-bromophenyl)-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) 3.63 6.65 -46.11 2 2 1 29 296.213 1 ↓
Mid Mid (pH 6-8) 3.63 4.63 -7.22 1 2 0 25 295.205 1 ↓

Analogs

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Popular Name: 2-(2-ethylphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(2-ethylphenyl)-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) 3.73 7.62 -44.92 2 2 1 29 245.371 2 ↓
Mid Mid (pH 6-8) 3.73 5.85 -6.03 1 2 0 25 244.363 2 ↓

Analogs

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Popular Name: 4-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)phenol 4-(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) 2.38 2.79 -47.48 3 3 1 50 233.316 1 ↓
Mid Mid (pH 6-8) 2.38 1.43 -7.28 2 3 0 45 232.308 1 ↓

Analogs

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Popular Name: 3-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)phenol 3-(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) 2.36 2.79 -48.18 3 3 1 50 233.316 1 ↓
Mid Mid (pH 6-8) 2.36 1.42 -7.59 2 3 0 45 232.308 1 ↓

Analogs

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Popular Name: 2-(2,4,6-trimethoxyphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(2,4,6-trimethoxyphenyl)-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) 2.89 4.06 -47.48 2 5 1 57 307.395 4 ↓
Mid Mid (pH 6-8) 2.89 2.7 -11.53 1 5 0 53 306.387 4 ↓

Analogs

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Popular Name: N-methyl-2-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carbothioamide N-methyl-2-(3,4,5-trimethoxyphen…

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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) 2.93 7.14 -17.25 1 6 0 56 379.507 6 ↓

Parameters Provided:

ring.id = 44845
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 = 44845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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