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Analogs

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Popular Name: 5-[(3R)-3-methylthiomorpholin-4-yl]pyridin-2-amine 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) 1.51 4.75 -31.58 3 3 1 43 210.326 1 ↓
Mid Mid (pH 6-8) 1.51 4.28 -3.95 2 3 0 42 209.318 1 ↓

Analogs

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Popular Name: 5-[(3S)-3-methylthiomorpholin-4-yl]pyridin-2-amine 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) 1.51 4.75 -31.17 3 3 1 43 210.326 1 ↓
Mid Mid (pH 6-8) 1.51 4.29 -4.18 2 3 0 42 209.318 1 ↓

Analogs

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Popular Name: 5-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]pyridin-2-amine 5-[(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) 1.91 5.43 -31.72 3 3 1 43 224.353 1 ↓
Mid Mid (pH 6-8) 1.91 4.96 -5.62 2 3 0 42 223.345 1 ↓

Analogs

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Popular Name: 5-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]pyridin-2-amine 5-[(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) 1.91 5.71 -31.71 3 3 1 43 224.353 1 ↓
Mid Mid (pH 6-8) 1.91 5.23 -5.34 2 3 0 42 223.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]pyridin-2-amine 5-[(2R,6R)-2,6-dimethylthiomorph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.91 5.69 -31.68 3 3 1 43 224.353 1 ↓
Mid Mid (pH 6-8) 1.91 5.22 -5.33 2 3 0 42 223.345 1 ↓

Parameters Provided:

ring.id = 445231
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 = 445231 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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