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Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(3…

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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) 2.08 4.14 -51.26 3 2 1 31 322.317 3 ↓
Hi High (pH 8-9.5) 2.08 3.77 -2.52 2 2 0 29 321.309 3 ↓

Analogs

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Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(3…

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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) 2.08 4.24 -49.6 3 2 1 31 322.317 3 ↓
Hi High (pH 8-9.5) 2.08 3.95 -2.36 2 2 0 29 321.309 3 ↓

Analogs

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Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(3…

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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) 2.28 4.26 -52.55 3 2 1 31 322.317 3 ↓
Hi High (pH 8-9.5) 2.28 3.89 -2.82 2 2 0 29 321.309 3 ↓

Analogs

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Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(3…

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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) 2.28 4.36 -50.89 3 2 1 31 322.317 3 ↓
Hi High (pH 8-9.5) 2.28 4.07 -2.44 2 2 0 29 321.309 3 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2R)-2-(5-methyl-2-thienyl)-2-[(…

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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) 1.57 4.37 -48.89 3 2 1 31 257.448 3 ↓
Hi High (pH 8-9.5) 1.57 3.62 -3.22 2 2 0 29 256.44 3 ↓

Analogs

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Popular Name: (2S)-2-(5-methyl-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-methyl-2-thienyl)-2-[(…

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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) 1.57 4.48 -47.45 3 2 1 31 257.448 3 ↓
Hi High (pH 8-9.5) 1.57 4.16 -2.66 2 2 0 29 256.44 3 ↓

Analogs

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Popular Name: (1R,2R)-1-[(3R)-3-methylthiomorpholin-4-yl]-1-(2-thienyl)propan-2-amine (1R,2R)-1-[(3R)-3-methylthiomorp…

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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) 1.75 3.51 -43.82 3 2 1 31 257.448 3 ↓
Hi High (pH 8-9.5) 1.75 3.2 -2.44 2 2 0 29 256.44 3 ↓

Analogs

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Popular Name: (1R,2R)-1-[(3S)-3-methylthiomorpholin-4-yl]-1-(2-thienyl)propan-2-amine (1R,2R)-1-[(3S)-3-methylthiomorp…

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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) 1.75 4.08 -44.04 3 2 1 31 257.448 3 ↓
Hi High (pH 8-9.5) 1.75 3.76 -2.23 2 2 0 29 256.44 3 ↓

Analogs

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Popular Name: (2S)-2-[(3R)-3-methylthiomorpholin-4-yl]-2-(2-thienyl)ethanamine (2S)-2-[(3R)-3-methylthiomorphol…

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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) 1.34 3.53 -49.03 3 2 1 31 243.421 3 ↓
Hi High (pH 8-9.5) 1.34 2.77 -3.07 2 2 0 29 242.413 3 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-methylthiomorpholin-4-yl]-2-(2-thienyl)ethanamine (2S)-2-[(3S)-3-methylthiomorphol…

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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) 1.34 3.63 -47.53 3 2 1 31 243.421 3 ↓
Hi High (pH 8-9.5) 1.34 3.37 -3.34 2 2 0 29 242.413 3 ↓

Analogs

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Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-chloro-2-thienyl)-2-[(…

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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) 2.15 4.15 -52.48 3 2 1 31 277.866 3 ↓
Hi High (pH 8-9.5) 2.15 3.78 -2.78 2 2 0 29 276.858 3 ↓

Analogs

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Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(5-chloro-2-thienyl)-2-[(…

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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) 2.15 4.25 -50.79 3 2 1 31 277.866 3 ↓
Hi High (pH 8-9.5) 2.15 3.96 -2.43 2 2 0 29 276.858 3 ↓

Analogs

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Popular Name: 5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiophene-2-carboxylic 5-[[(3R)-3-methylthiomorpholin-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) 2.17 6.27 -48.08 0 3 -1 43 256.372 3 ↓
Mid Mid (pH 6-8) 2.17 8.3 -65.83 1 3 0 45 257.38 3 ↓

Analogs

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Popular Name: 5-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiophene-2-carboxylic 5-[[(3S)-3-methylthiomorpholin-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) 2.17 6.26 -48.08 0 3 -1 43 256.372 3 ↓
Mid Mid (pH 6-8) 2.17 8.31 -65.89 1 3 0 45 257.38 3 ↓

Analogs

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Popular Name: (3R)-4-[(3-bromo-2-thienyl)methyl]-3-methyl-thiomorpholine (3R)-4-[(3-bromo-2-thienyl)methy…

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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) 3.09 5.91 -3.02 0 1 0 3 292.267 2 ↓
Mid Mid (pH 6-8) 3.09 7.97 -31.51 1 1 1 4 293.275 2 ↓

Analogs

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Popular Name: (3S)-4-[(3-bromo-2-thienyl)methyl]-3-methyl-thiomorpholine (3S)-4-[(3-bromo-2-thienyl)methy…

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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) 3.09 6.1 -3.03 0 1 0 3 292.267 2 ↓
Mid Mid (pH 6-8) 3.09 8.16 -31.44 1 1 1 4 293.275 2 ↓

Analogs

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Popular Name: (3R)-4-[(5-bromo-2-thienyl)methyl]-3-methyl-thiomorpholine (3R)-4-[(5-bromo-2-thienyl)methy…

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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 6.29 -3 0 1 0 3 292.267 2 ↓
Mid Mid (pH 6-8) 3.29 8.33 -37.6 1 1 1 4 293.275 2 ↓

Analogs

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Popular Name: (3S)-4-[(5-bromo-2-thienyl)methyl]-3-methyl-thiomorpholine (3S)-4-[(5-bromo-2-thienyl)methy…

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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 6.29 -2.97 0 1 0 3 292.267 2 ↓
Mid Mid (pH 6-8) 3.29 8.35 -37.35 1 1 1 4 293.275 2 ↓

Analogs

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Popular Name: (3R)-4-[(4-bromo-2-thienyl)methyl]-3-methyl-thiomorpholine (3R)-4-[(4-bromo-2-thienyl)methy…

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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) 3.09 6.18 -2.84 0 1 0 3 292.267 2 ↓
Mid Mid (pH 6-8) 3.09 8.22 -36.13 1 1 1 4 293.275 2 ↓

Analogs

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Popular Name: (3S)-4-[(4-bromo-2-thienyl)methyl]-3-methyl-thiomorpholine (3S)-4-[(4-bromo-2-thienyl)methy…

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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) 3.09 6.17 -2.95 0 1 0 3 292.267 2 ↓
Mid Mid (pH 6-8) 3.09 8.24 -36.08 1 1 1 4 293.275 2 ↓

Analogs

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Popular Name: (2S)-2-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-2-(2-thienyl)ethanamine (2S)-2-[(2S,6R)-2,6-dimethylthio…

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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) 1.74 4.5 -49.47 3 2 1 31 257.448 3 ↓
Hi High (pH 8-9.5) 1.74 4.14 -2.66 2 2 0 29 256.44 3 ↓

Analogs

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Popular Name: (2S)-2-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-2-(2-thienyl)ethanamine (2S)-2-[(2S,6S)-2,6-dimethylthio…

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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) 1.74 4.97 -50.63 3 2 1 31 257.448 3 ↓
Hi High (pH 8-9.5) 1.74 4.61 -2.41 2 2 0 29 256.44 3 ↓

Analogs

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Popular Name: (2S)-2-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-2-(2-thienyl)ethanamine (2S)-2-[(2R,6R)-2,6-dimethylthio…

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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) 1.74 5.03 -49.3 3 2 1 31 257.448 3 ↓
Hi High (pH 8-9.5) 1.74 4.69 -2.53 2 2 0 29 256.44 3 ↓

Parameters Provided:

ring.id = 445184
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 445184 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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