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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: N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-thiomorpholino-ethanamine N-[[(2R)-tetrahydrofuran-2-yl]me…

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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) 0.54 3.41 -41.18 2 3 1 29 231.385 5 ↓
Hi High (pH 8-9.5) 0.54 1.99 -4.1 1 3 0 24 230.377 5 ↓
Lo Low (pH 4.5-6) 0.54 5.49 -118.49 3 3 2 30 232.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thiomorpholino-ethanamine N-[[(2S)-tetrahydrofuran-2-yl]me…

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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) 0.54 3.4 -41.23 2 3 1 29 231.385 5 ↓
Hi High (pH 8-9.5) 0.54 2.05 -3.28 1 3 0 24 230.377 5 ↓
Lo Low (pH 4.5-6) 0.54 5.49 -118.33 3 3 2 30 232.393 5 ↓

Analogs

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Popular Name: (1S)-1-[(2S)-tetrahydrofuran-2-yl]-N-(2-thiomorpholinoethyl)ethanamine (1S)-1-[(2S)-tetrahydrofuran-2-y…

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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) 1.22 4.15 -40.06 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 1.22 2.9 -3.63 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 1.22 6.25 -120.01 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2S)-tetrahydrofuran-2-yl]-N-(2-thiomorpholinoethyl)ethanamine (1R)-1-[(2S)-tetrahydrofuran-2-y…

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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) 1.22 3.86 -39.28 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 1.22 2.68 -3.13 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 1.22 5.96 -116.84 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(2R)-tetrahydrofuran-2-yl]-N-(2-thiomorpholinoethyl)ethanamine (1S)-1-[(2R)-tetrahydrofuran-2-y…

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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) 1.22 3.88 -39.41 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 1.22 2.65 -3.7 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 1.22 5.98 -117.3 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2R)-tetrahydrofuran-2-yl]-N-(2-thiomorpholinoethyl)ethanamine (1R)-1-[(2R)-tetrahydrofuran-2-y…

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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) 1.22 4.12 -39.7 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 1.22 3.25 -2.61 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 1.22 6.23 -118.59 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thiomorpholino-propan-1-amine (2S)-N-[[(2S)-tetrahydrofuran-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) 0.87 4.44 -38.76 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.87 3.06 -3.43 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.87 6.16 -117.55 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thiomorpholino-propan-1-amine (2R)-N-[[(2S)-tetrahydrofuran-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) 0.87 4.39 -39.17 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.87 2.63 -3.7 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.87 6.15 -116.52 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-thiomorpholino-propan-1-amine (2S)-N-[[(2R)-tetrahydrofuran-2-…

Find On: PubMed — Wikipedia — Google

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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) 0.87 4.45 -39.21 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.87 3.14 -2.94 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.87 6.17 -116.49 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-thiomorpholino-propan-1-amine (2R)-N-[[(2R)-tetrahydrofuran-2-…

Find On: PubMed — Wikipedia — Google

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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) 0.87 4.39 -38.96 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.87 2.73 -2.9 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.87 6.16 -117.61 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-methylthiomorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(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) 0.87 3.94 -40.8 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.87 2.53 -3.86 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.87 5.96 -115.78 3 3 2 30 246.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-methylthiomorpholin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[(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) 0.87 3.94 -40.69 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.87 2.53 -4.02 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.87 5.96 -115.77 3 3 2 30 246.42 5 ↓

Parameters Provided:

ring.id = 53369
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 = 53369 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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