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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R)-2-[(3R)-3-methylthiomorpholin-4-yl]-2-[(3S)-tetrahydropyran-3-yl]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) 0.61 2.14 -50.05 3 3 1 40 245.412 3 ↓
Hi High (pH 8-9.5) 0.61 1.44 -3.46 2 3 0 38 244.404 3 ↓
Lo Low (pH 4.5-6) 0.61 3.76 -130.99 4 3 2 41 246.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-3-methylthiomorpholin-4-yl]-2-[(3S)-tetrahydropyran-3-yl]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) 0.61 2.89 -48.18 3 3 1 40 245.412 3 ↓
Hi High (pH 8-9.5) 0.61 2.68 -3.11 2 3 0 38 244.404 3 ↓
Lo Low (pH 4.5-6) 0.61 4.46 -122.74 4 3 2 41 246.42 3 ↓

Analogs

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Popular Name: (3R)-3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]tetrahydropyran-3-carbaldehyde (3R)-3-[[(3R)-3-methylthiomorpho…

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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 3.99 -9.72 0 3 0 30 243.372 3 ↓
Mid Mid (pH 6-8) 1.34 6.05 -48.04 1 3 1 31 244.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]tetrahydropyran-3-carbaldehyde (3R)-3-[[(3S)-3-methylthiomorpho…

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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 5.46 -8.25 0 3 0 30 243.372 3 ↓
Mid Mid (pH 6-8) 1.34 6.96 -41.21 1 3 1 31 244.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.32 1.17 -48.44 3 3 1 40 245.412 3 ↓
Lo Low (pH 4.5-6) 0.32 3.27 -114.78 4 3 2 41 246.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]tetrahydropyran-3-yl]methanamine [(3R)-3-[[(3S)-3-methylthiomorph…

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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) 0.32 1.12 -48.7 3 3 1 40 245.412 3 ↓
Lo Low (pH 4.5-6) 0.32 3.32 -110.42 4 3 2 41 246.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]tetrahydropyran-3-yl]methanol [(3S)-3-[[(3R)-3-methylthiomorph…

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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) 0.88 2.91 -36.64 2 3 1 34 246.396 3 ↓
Mid Mid (pH 6-8) 0.88 0.76 -3.76 1 3 0 33 245.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]tetrahydropyran-3-yl]methanol [(3S)-3-[[(3S)-3-methylthiomorph…

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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) 0.88 2.75 -35.9 2 3 1 34 246.396 3 ↓
Mid Mid (pH 6-8) 0.88 0.54 -4.04 1 3 0 33 245.388 3 ↓

Parameters Provided:

ring.id = 445266
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 = 445266 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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