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Analogs

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Popular Name: (1S)-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanol (1S)-2-(4-methylthiazol-2-yl)-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) 0.35 0.69 -8.12 1 4 0 59 221.285 3 ↓

Analogs

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Popular Name: (1R)-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanol (1R)-2-(4-methylthiazol-2-yl)-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) 0.35 0.48 -8.07 1 4 0 59 221.285 3 ↓

Analogs

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Popular Name: (1S)-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanamine (1S)-2-(4-methylthiazol-2-yl)-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) -1.35 1.05 -5.95 2 4 0 65 220.301 3 ↓
Mid Mid (pH 6-8) -1.35 1.31 -42.24 3 4 1 66 221.309 3 ↓

Analogs

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Popular Name: (1R)-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanamine (1R)-2-(4-methylthiazol-2-yl)-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) -1.35 0.74 -6.97 2 4 0 65 220.301 3 ↓
Mid Mid (pH 6-8) -1.35 1.07 -41.82 3 4 1 66 221.309 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanamine (1S)-N-methyl-2-(4-methylthiazol…

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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) 0.90 1.6 -7.03 1 4 0 51 234.328 4 ↓
Mid Mid (pH 6-8) 0.90 2.66 -36.94 2 4 1 55 235.336 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanamine (1R)-N-methyl-2-(4-methylthiazol…

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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) 0.90 1.85 -6.69 1 4 0 51 234.328 4 ↓
Mid Mid (pH 6-8) 0.90 2.78 -36.79 2 4 1 55 235.336 4 ↓

Analogs

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Popular Name: (1S)-N-ethyl-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanamine (1S)-N-ethyl-2-(4-methylthiazol-…

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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) 1.28 4.07 -32.8 2 4 1 55 249.363 5 ↓
Mid Mid (pH 6-8) 1.28 3.07 -5.77 1 4 0 51 248.355 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethanamine (1R)-N-ethyl-2-(4-methylthiazol-…

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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) 1.28 4.04 -34.48 2 4 1 55 249.363 5 ↓
Mid Mid (pH 6-8) 1.28 2.72 -6.7 1 4 0 51 248.355 5 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethyl]propan-1-amine N-[(1S)-2-(4-methylthiazol-2-yl)…

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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) 1.78 4.89 -32.85 2 4 1 55 263.39 6 ↓
Mid Mid (pH 6-8) 1.78 3.67 -5.76 1 4 0 51 262.382 6 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-methylthiazol-2-yl)-1-pyrazin-2-yl-ethyl]propan-1-amine N-[(1R)-2-(4-methylthiazol-2-yl)…

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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) 1.78 4.79 -34.82 2 4 1 55 263.39 6 ↓
Mid Mid (pH 6-8) 1.78 3.33 -6.33 1 4 0 51 262.382 6 ↓

Parameters Provided:

ring.id = 264466
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 = 264466 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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