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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22172313
22172313

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Popular Name: (2R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-thienyl)ethanamine (2R)-2-[(2S,6S)-2,6-dimethylmorp…

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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) 0.89 2.47 -44.91 3 3 1 40 241.38 3 ↓

Analogs

20950421
20950421
20950425
20950425

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Popular Name: 2-methyl-N-[(2S)-2-morpholino-2-(3-thienyl)ethyl]propanamide 2-methyl-N-[(2S)-2-morpholino-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) 1.59 3.22 -9.07 1 4 0 42 282.409 5 ↓

Analogs

20950421
20950421
20950425
20950425

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Popular Name: 2-methyl-N-[(2R)-2-morpholino-2-(3-thienyl)ethyl]propanamide 2-methyl-N-[(2R)-2-morpholino-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) 1.59 2.97 -9.38 1 4 0 42 282.409 5 ↓

Analogs

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Popular Name: N-allyl-N'-[(2S)-2-morpholino-2-(3-thienyl)ethyl]oxamide N-allyl-N'-[(2S)-2-morpholino-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) 0.22 0.77 -6.97 2 6 0 71 323.418 7 ↓

Analogs

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Popular Name: N-allyl-N'-[(2R)-2-morpholino-2-(3-thienyl)ethyl]oxamide N-allyl-N'-[(2R)-2-morpholino-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) 0.22 0.53 -7.58 2 6 0 71 323.418 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N'-[(2S)-2-morpholino-2-(3-thienyl)ethyl]oxamide N-(2-methoxyethyl)-N'-[(2S)-2-mo…

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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) -0.44 -0.73 -7.98 2 7 0 80 341.433 8 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N'-[(2R)-2-morpholino-2-(3-thienyl)ethyl]oxamide N-(2-methoxyethyl)-N'-[(2R)-2-mo…

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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) -0.44 -0.97 -8.56 2 7 0 80 341.433 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N'-[(2S)-2-morpholino-2-(3-thienyl)ethyl]oxamide N-methyl-N'-[(2S)-2-morpholino-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) -0.43 -0.65 -7.86 2 6 0 71 297.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N'-[(2R)-2-morpholino-2-(3-thienyl)ethyl]oxamide N-methyl-N'-[(2R)-2-morpholino-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) -0.43 -0.89 -8.42 2 6 0 71 297.38 5 ↓

Analogs

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Popular Name: 1-[(2R)-4-[(5-bromo-3-thienyl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-[(5-bromo-3-thienyl)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) 2.12 5.44 -34.1 1 3 1 17 320.276 4 ↓
Hi High (pH 8-9.5) 2.12 2.9 -3.79 0 3 0 16 319.268 4 ↓

Analogs

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Popular Name: 1-[(2S)-4-[(5-bromo-3-thienyl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(5-bromo-3-thienyl)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) 2.12 5.43 -34.6 1 3 1 17 320.276 4 ↓
Hi High (pH 8-9.5) 2.12 2.89 -3.77 0 3 0 16 319.268 4 ↓

Analogs

42450456
42450456
42450458
42450458
42450460
42450460
43423559
43423559
43423560
43423560

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Popular Name: (2R)-2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-(3-thienyl)ethanamine (2R)-2-[(2R,5R)-5-ethyl-2-methyl…

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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 2.23 -48.41 3 3 1 40 255.407 4 ↓

Analogs

42450458
42450458
42450460
42450460
43423559
43423559
43423560
43423560
43423561
43423561

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-(3-thienyl)ethanamine (2R)-2-[(2R,5S)-5-ethyl-2-methyl…

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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 2.82 -45.91 3 3 1 40 255.407 4 ↓

Analogs

42450460
42450460
43423559
43423559
43423560
43423560
43423561
43423561
43423562
43423562

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-(3-thienyl)ethanamine (2R)-2-[(2S,5R)-5-ethyl-2-methyl…

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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 1.96 -48.14 3 3 1 40 255.407 4 ↓

Analogs

43423559
43423559
43423560
43423560
43423561
43423561
43423562
43423562
43423563
43423563

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-(3-thienyl)ethanamine (2R)-2-[(2S,5S)-5-ethyl-2-methyl…

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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 3.05 -46.09 3 3 1 40 255.407 4 ↓

Analogs

35774622
35774622
35774624
35774624

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-2-(3-thienyl)ethanamine (2R)-2-(3,3-dimethylmorpholin-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) 0.97 1.7 -47.93 3 3 1 40 241.38 3 ↓

Analogs

35774622
35774622
35774624
35774624

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-2-(3-thienyl)ethanamine (2S)-2-(3,3-dimethylmorpholin-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) 0.97 1.61 -47.77 3 3 1 40 241.38 3 ↓

Parameters Provided:

ring.id = 120188
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 = 120188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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