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Popular Name: [4-[(3R)-3-methylthiomorpholin-4-yl]-2-pyridyl]methanamine [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) 1.11 3.54 -30.99 3 3 1 43 224.353 2 ↓

Analogs

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Popular Name: [4-[(3S)-3-methylthiomorpholin-4-yl]-2-pyridyl]methanamine [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) 1.11 3.54 -31.1 3 3 1 43 224.353 2 ↓

Analogs

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Popular Name: 4-[(3R)-3-methylthiomorpholin-4-yl]pyridin-3-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) 1.10 4.29 -32.35 3 3 1 43 210.326 1 ↓

Analogs

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Popular Name: 4-[(3S)-3-methylthiomorpholin-4-yl]pyridin-3-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) 1.10 4.44 -32.24 3 3 1 43 210.326 1 ↓

Analogs

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Popular Name: 4-[(3R)-3-methylthiomorpholin-4-yl]pyridine-2-carboxamidine 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) 0.31 3.52 -32.25 4 4 1 68 237.352 2 ↓
Mid Mid (pH 6-8) 0.31 3.98 -105.61 5 4 2 69 238.36 2 ↓

Analogs

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Popular Name: 4-[(3S)-3-methylthiomorpholin-4-yl]pyridine-2-carboxamidine 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) 0.31 3.52 -31.68 4 4 1 68 237.352 2 ↓
Mid Mid (pH 6-8) 0.31 3.98 -105.32 5 4 2 69 238.36 2 ↓

Analogs

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Popular Name: [4-[(3R)-3-methylthiomorpholin-4-yl]-2-pyridyl]methanol [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) 1.26 3.44 -34.34 2 3 1 38 225.337 2 ↓

Analogs

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Popular Name: [4-[(3S)-3-methylthiomorpholin-4-yl]-2-pyridyl]methanol [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) 1.26 3.44 -34.69 2 3 1 38 225.337 2 ↓

Analogs

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

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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) 2.50 7.18 -34.66 1 2 1 17 243.783 2 ↓
Hi High (pH 8-9.5) 2.50 6.74 -4.16 0 2 0 16 242.775 2 ↓

Analogs

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

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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) 2.50 7.18 -34.88 1 2 1 17 243.783 2 ↓
Hi High (pH 8-9.5) 2.50 6.75 -4.18 0 2 0 16 242.775 2 ↓

Analogs

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Popular Name: N-methyl-1-[4-[(3R)-3-methylthiomorpholin-4-yl]-2-pyridyl]methanamine N-methyl-1-[4-[(3R)-3-methylthio…

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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) 1.48 5.82 -111.21 3 3 2 34 239.388 3 ↓
Mid Mid (pH 6-8) 1.48 4.37 -32.35 2 3 1 29 238.38 3 ↓

Analogs

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Popular Name: N-methyl-1-[4-[(3S)-3-methylthiomorpholin-4-yl]-2-pyridyl]methanamine N-methyl-1-[4-[(3S)-3-methylthio…

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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) 1.48 5.82 -110.77 3 3 2 34 239.388 3 ↓
Mid Mid (pH 6-8) 1.48 4.37 -32.65 2 3 1 29 238.38 3 ↓

Analogs

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Popular Name: 4-[(3R)-3-methylthiomorpholin-4-yl]pyridine-2-carbothioamide 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) 1.72 5.21 -46.92 3 3 1 43 254.404 2 ↓

Analogs

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Popular Name: 4-[(3S)-3-methylthiomorpholin-4-yl]pyridine-2-carbothioamide 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) 1.72 5.21 -47.98 3 3 1 43 254.404 2 ↓

Analogs

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Popular Name: 4-[(3R)-3-methylthiomorpholin-4-yl]pyridine-2-carboxylic 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) 1.50 6.53 -34.82 1 4 0 58 238.312 2 ↓

Analogs

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Popular Name: 4-[(3S)-3-methylthiomorpholin-4-yl]pyridine-2-carboxylic 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) 1.50 6.53 -37.03 1 4 0 58 238.312 2 ↓

Analogs

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Popular Name: [4-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-2-pyridyl]methanamine [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) 1.50 4.23 -30.52 3 3 1 43 238.38 2 ↓

Analogs

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Popular Name: [4-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-2-pyridyl]methanamine [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) 1.50 4.52 -30.58 3 3 1 43 238.38 2 ↓

Analogs

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Popular Name: [4-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-2-pyridyl]methanamine [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) 1.50 4.5 -30.6 3 3 1 43 238.38 2 ↓

Analogs

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Popular Name: 4-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]pyridin-3-amine 4-[(2S,6R)-2,6-dimethylthiomorph…

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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) 1.49 5.38 -32.78 3 3 1 43 224.353 1 ↓

Analogs

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Popular Name: 4-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]pyridin-3-amine 4-[(2S,6S)-2,6-dimethylthiomorph…

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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) 1.49 5.43 -32.98 3 3 1 43 224.353 1 ↓

Analogs

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Popular Name: 4-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]pyridin-3-amine 4-[(2R,6R)-2,6-dimethylthiomorph…

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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) 1.49 5.39 -32.94 3 3 1 43 224.353 1 ↓

Analogs

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Popular Name: [4-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-2-pyridyl]methanol [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) 1.66 4.12 -33.15 2 3 1 38 239.364 2 ↓

Analogs

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Popular Name: [4-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-2-pyridyl]methanol [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) 1.66 4.41 -33 2 3 1 38 239.364 2 ↓

Analogs

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Popular Name: [4-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-2-pyridyl]methanol [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) 1.66 4.4 -33.02 2 3 1 38 239.364 2 ↓

Analogs

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Popular Name: (2S,6R)-4-[2-(chloromethyl)-4-pyridyl]-2,6-dimethyl-thiomorpholine (2S,6R)-4-[2-(chloromethyl)-4-py…

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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 7.87 -34.09 1 2 1 17 257.81 2 ↓
Hi High (pH 8-9.5) 2.90 7.43 -5.85 0 2 0 16 256.802 2 ↓

Analogs

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Popular Name: (2S,6S)-4-[2-(chloromethyl)-4-pyridyl]-2,6-dimethyl-thiomorpholine (2S,6S)-4-[2-(chloromethyl)-4-py…

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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 8.16 -33.99 1 2 1 17 257.81 2 ↓
Hi High (pH 8-9.5) 2.90 7.72 -5.53 0 2 0 16 256.802 2 ↓

Analogs

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Popular Name: (2R,6R)-4-[2-(chloromethyl)-4-pyridyl]-2,6-dimethyl-thiomorpholine (2R,6R)-4-[2-(chloromethyl)-4-py…

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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 8.14 -33.95 1 2 1 17 257.81 2 ↓
Hi High (pH 8-9.5) 2.90 7.7 -5.57 0 2 0 16 256.802 2 ↓

Parameters Provided:

ring.id = 445176
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 = 445176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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