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Analogs

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Popular Name: (1R)-1-[2-(benzofuran-2-yl)-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-(benzofuran-2-yl)-4-me…

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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) 3.26 4.68 -10.42 1 3 0 46 259.33 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzofuran-2-yl)-4-methyl-thiazol-5-yl]ethanol (1S)-1-[2-(benzofuran-2-yl)-4-me…

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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) 3.26 4.7 -10.44 1 3 0 46 259.33 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzofuran-2-yl)thiazol-5-yl]ethanol (1S)-1-[2-(benzofuran-2-yl)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) 3.04 4.18 -9.89 1 3 0 46 245.303 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(benzofuran-2-yl)thiazol-5-yl]ethanol (1R)-1-[2-(benzofuran-2-yl)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) 3.04 4.18 -9.89 1 3 0 46 245.303 2 ↓

Analogs

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Popular Name: [2-(benzofuran-2-yl)-4-methyl-thiazol-5-yl]methanamine [2-(benzofuran-2-yl)-4-methyl-th…

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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) 2.88 4.63 -51.92 3 3 1 54 245.327 2 ↓
Mid Mid (pH 6-8) 2.88 4.23 -8.37 2 3 0 52 244.319 2 ↓

Analogs

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Popular Name: 1-[2-(benzofuran-2-yl)-4-methyl-thiazol-5-yl]-N-methyl-methanamine 1-[2-(benzofuran-2-yl)-4-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) 3.26 6.5 -45.81 2 3 1 43 259.354 3 ↓
Hi High (pH 8-9.5) 3.26 5.06 -7.69 1 3 0 38 258.346 3 ↓

Analogs

40997146
40997146

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Popular Name: N-[[2-(benzofuran-2-yl)thiazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[2-(benzofuran-2-yl)thiazol-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) 4.22 7.83 -40.7 2 3 1 43 287.408 4 ↓
Hi High (pH 8-9.5) 4.22 6.57 -6.34 1 3 0 38 286.4 4 ↓

Analogs

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Popular Name: N-[[2-(benzofuran-2-yl)thiazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[2-(benzofuran-2-yl)thiazol-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) 4.16 8.31 -45.52 2 3 1 43 287.408 5 ↓
Hi High (pH 8-9.5) 4.16 6.94 -6.42 1 3 0 38 286.4 5 ↓

Analogs

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Popular Name: 2-[2-(benzofuran-2-yl)thiazol-4-yl]acetonitrile 2-[2-(benzofuran-2-yl)thiazol-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) 3.44 7.03 -17.55 0 3 0 50 240.287 2 ↓

Analogs

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Popular Name: 2-[2-(benzofuran-2-yl)thiazol-4-yl]ethanamine 2-[2-(benzofuran-2-yl)thiazol-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) 2.46 4.69 -47.26 3 3 1 54 245.327 3 ↓

Analogs

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Popular Name: 2-[2-(benzofuran-2-yl)thiazol-4-yl]acetic 2-[2-(benzofuran-2-yl)thiazol-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) 2.90 7.37 -60.04 0 4 -1 66 258.278 3 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-4-methyl-thiazole-5-carboxylic 2-(benzofuran-2-yl)-4-methyl-thi…

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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 7.07 -48.08 0 4 -1 66 258.278 2 ↓

Parameters Provided:

ring.id = 273268
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 = 273268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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