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Analogs

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Popular Name: (2R)-2-[(3R)-3-methylthiomorpholin-4-yl]-2-(4-pyridyl)ethanamine (2R)-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) 0.16 2.5 -54.4 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.16 1.73 -4.64 2 3 0 42 237.372 3 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-methylthiomorpholin-4-yl]-2-(4-pyridyl)ethanamine (2R)-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) 0.16 3.03 -52.41 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.16 2.91 -4.73 2 3 0 42 237.372 3 ↓

Analogs

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Popular Name: [4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]methanamine [4-[[(3R)-3-methylthiomorpholin-…

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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) 0.81 2.63 -45.1 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.81 2.22 -4.75 2 3 0 42 237.372 3 ↓
Mid Mid (pH 6-8) 0.81 4.67 -101.14 4 3 2 45 239.388 3 ↓

Analogs

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Popular Name: [4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]methanamine [4-[[(3S)-3-methylthiomorpholin-…

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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) 0.81 2.63 -44.62 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.81 2.22 -4.75 2 3 0 42 237.372 3 ↓
Mid Mid (pH 6-8) 0.81 4.66 -100.47 4 3 2 45 239.388 3 ↓

Analogs

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Popular Name: (3R)-4-[(2-chloro-4-pyridyl)methyl]-3-methyl-thiomorpholine (3R)-4-[(2-chloro-4-pyridyl)meth…

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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) 2.19 5.08 -5.57 0 2 0 16 242.775 2 ↓
Mid Mid (pH 6-8) 2.19 7.12 -43.44 1 2 1 17 243.783 2 ↓

Analogs

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Popular Name: (3S)-4-[(2-chloro-4-pyridyl)methyl]-3-methyl-thiomorpholine (3S)-4-[(2-chloro-4-pyridyl)meth…

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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) 2.19 5.08 -5.7 0 2 0 16 242.775 2 ↓
Mid Mid (pH 6-8) 2.19 7.11 -43.71 1 2 1 17 243.783 2 ↓

Analogs

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Popular Name: N-methyl-4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine N-methyl-4-[[(3R)-3-methylthiomo…

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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) 1.37 6.35 -38.82 2 3 1 29 238.38 3 ↓
Mid Mid (pH 6-8) 1.37 4.31 -5.36 1 3 0 28 237.372 3 ↓
Mid Mid (pH 6-8) 1.37 4.78 -31.26 2 3 1 29 238.38 3 ↓

Analogs

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Popular Name: N-methyl-4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine N-methyl-4-[[(3S)-3-methylthiomo…

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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) 1.37 6.34 -38.94 2 3 1 29 238.38 3 ↓
Mid Mid (pH 6-8) 1.37 4.31 -5.42 1 3 0 28 237.372 3 ↓
Mid Mid (pH 6-8) 1.37 4.78 -31.52 2 3 1 29 238.38 3 ↓

Analogs

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Popular Name: 4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine 4-[[(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) 0.99 5.44 -38.89 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 0.99 3.88 -32.68 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 0.99 3.41 -5.15 2 3 0 42 223.345 2 ↓

Analogs

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Popular Name: 4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine 4-[[(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) 0.99 5.44 -38.88 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 0.99 3.88 -32.86 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 0.99 3.41 -5.19 2 3 0 42 223.345 2 ↓

Analogs

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Popular Name: [4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [4-[[(3R)-3-methylthiomorpholin-…

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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) 0.75 5.34 -40.8 4 4 1 55 239.368 3 ↓
Mid Mid (pH 6-8) 0.75 3.31 -6.19 3 4 0 54 238.36 3 ↓

Analogs

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Popular Name: [4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [4-[[(3S)-3-methylthiomorpholin-…

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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) 0.75 5.34 -40.74 4 4 1 55 239.368 3 ↓
Mid Mid (pH 6-8) 0.75 3.31 -6.23 3 4 0 54 238.36 3 ↓

Analogs

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Popular Name: (2S,6R)-4-[(2-chloro-4-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2S,6R)-4-[(2-chloro-4-pyridyl)m…

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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) 2.58 5.91 -5.6 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.58 8.03 -46.74 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: (2S,6S)-4-[(2-chloro-4-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2S,6S)-4-[(2-chloro-4-pyridyl)m…

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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) 2.58 6.39 -5.52 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.58 8.1 -45.85 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: (2R,6R)-4-[(2-chloro-4-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2R,6R)-4-[(2-chloro-4-pyridyl)m…

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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) 2.58 6.39 -5.72 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.58 8.09 -46.01 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: 4-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 4-[[(2S,6R)-2,6-dimethylthiomorp…

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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) 1.39 4.23 -5.34 2 3 0 42 237.372 2 ↓
Mid Mid (pH 6-8) 1.39 4.7 -33.22 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.39 6.35 -41.66 3 3 1 43 238.38 2 ↓

Analogs

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Popular Name: 4-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 4-[[(2S,6S)-2,6-dimethylthiomorp…

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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) 1.39 4.71 -5.13 2 3 0 42 237.372 2 ↓
Mid Mid (pH 6-8) 1.39 6.41 -40.96 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.39 5.18 -33.4 3 3 1 43 238.38 2 ↓

Analogs

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Popular Name: 4-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 4-[[(2R,6R)-2,6-dimethylthiomorp…

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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) 1.39 4.72 -5.16 2 3 0 42 237.372 2 ↓
Mid Mid (pH 6-8) 1.39 6.41 -40.99 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.39 5.19 -33.51 3 3 1 43 238.38 2 ↓

Analogs

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Popular Name: [4-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [4-[[(2S,6R)-2,6-dimethylthiomor…

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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) 1.15 4.13 -6.39 3 4 0 54 252.387 3 ↓
Mid Mid (pH 6-8) 1.15 6.25 -43.55 4 4 1 55 253.395 3 ↓

Analogs

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Popular Name: [4-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [4-[[(2S,6S)-2,6-dimethylthiomor…

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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) 1.15 4.61 -6.17 3 4 0 54 252.387 3 ↓
Mid Mid (pH 6-8) 1.15 6.32 -42.82 4 4 1 55 253.395 3 ↓

Analogs

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Popular Name: [4-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [4-[[(2R,6R)-2,6-dimethylthiomor…

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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) 1.15 4.62 -6.17 3 4 0 54 252.387 3 ↓
Mid Mid (pH 6-8) 1.15 6.32 -42.89 4 4 1 55 253.395 3 ↓

Parameters Provided:

ring.id = 445198
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 = 445198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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