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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

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2R)-2-methylmorpholin-4-yl]cyclooctyl]methanamine [1-[(2R)-2-methylmorpholin-4-yl]…

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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) 2.34 2.66 -47.18 3 3 1 40 241.399 2 ↓
Lo Low (pH 4.5-6) 2.34 4.58 -129.85 4 3 2 41 242.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2S)-2-methylmorpholin-4-yl]cyclooctyl]methanamine [1-[(2S)-2-methylmorpholin-4-yl]…

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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) 2.34 3.08 -49.06 3 3 1 40 241.399 2 ↓
Lo Low (pH 4.5-6) 2.34 4.68 -116.63 4 3 2 41 242.407 2 ↓

Analogs

23068355
23068355

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]cyclooctanamine (1S,2R)-2-[(2S,6S)-2,6-dimethylm…

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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) 2.19 2.91 -1.28 2 3 0 38 240.391 1 ↓
Mid Mid (pH 6-8) 2.19 5.1 -120.77 4 3 2 41 242.407 1 ↓
Lo Low (pH 4.5-6) 2.19 4.85 -31.4 3 3 1 40 241.399 1 ↓

Analogs

59321882
59321882
35784284
35784284
35784280
35784280
35784061
35784061
35784064
35784064

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]cyclooctanamine (1S,2R)-2-[(2R,5R)-5-ethyl-2-met…

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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) 2.69 2.96 -1.11 2 3 0 38 254.418 2 ↓
Mid Mid (pH 6-8) 2.69 5.32 -116.89 4 3 2 41 256.434 2 ↓
Lo Low (pH 4.5-6) 2.69 4.91 -29.41 3 3 1 40 255.426 2 ↓

Analogs

59321882
59321882
35784284
35784284
35784280
35784280
35784061
35784061
35784064
35784064

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]cyclooctanamine (1S,2R)-2-[(2R,5S)-5-ethyl-2-met…

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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) 2.69 2.83 -1.49 2 3 0 38 254.418 2 ↓
Mid Mid (pH 6-8) 2.69 5.47 -114.76 4 3 2 41 256.434 2 ↓
Lo Low (pH 4.5-6) 2.69 5.31 -28.87 3 3 1 40 255.426 2 ↓

Analogs

59321882
59321882
35784284
35784284
35784280
35784280
35784061
35784061
35784064
35784064

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]cyclooctanamine (1S,2R)-2-[(2S,5R)-5-ethyl-2-met…

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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) 2.69 2.7 -1.33 2 3 0 38 254.418 2 ↓
Mid Mid (pH 6-8) 2.69 5.37 -117.37 4 3 2 41 256.434 2 ↓
Lo Low (pH 4.5-6) 2.69 4.95 -30.17 3 3 1 40 255.426 2 ↓

Analogs

59321882
59321882
35784284
35784284
35784280
35784280
35784061
35784061
35784064
35784064

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]cyclooctanamine (1S,2R)-2-[(2S,5S)-5-ethyl-2-met…

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) 2.69 3.09 -1.23 2 3 0 38 254.418 2 ↓
Mid Mid (pH 6-8) 2.69 5.42 -115.01 4 3 2 41 256.434 2 ↓
Lo Low (pH 4.5-6) 2.69 5.28 -28.25 3 3 1 40 255.426 2 ↓

Analogs

59321765
59321765
59321768
59321768
35774937
35774937
35774940
35774940
35774845
35774845

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(3,3-dimethylmorpholin-4-yl)cyclooctyl]methanamine [1-(3,3-dimethylmorpholin-4-yl)c…

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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) 2.79 2.88 -1.03 3 3 0 40 255.426 2 ↓
Lo Low (pH 4.5-6) 2.79 4.58 -28.69 4 3 0 41 256.434 2 ↓

Analogs

35775623
35775623
35775626
35775626
36326215
36326215
36326217
36326217

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,3-dimethylmorpholin-4-yl)cyclooctanamine (1S,2R)-2-(3,3-dimethylmorpholin…

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) 2.27 1.79 -1.21 2 3 0 38 240.391 1 ↓
Mid Mid (pH 6-8) 2.27 4.22 -107.24 4 3 2 41 242.407 1 ↓
Lo Low (pH 4.5-6) 2.27 4.15 -29.07 3 3 1 40 241.399 1 ↓

Analogs

35775623
35775623
35775626
35775626
36326215
36326215
36326217
36326217

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,3-dimethylmorpholin-4-yl)cyclooctanamine (1S,2S)-2-(3,3-dimethylmorpholin…

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) 2.27 2.66 -1.82 2 3 0 38 240.391 1 ↓
Mid Mid (pH 6-8) 2.27 4.5 -13.48 4 3 0 41 242.407 1 ↓
Lo Low (pH 4.5-6) 2.27 4.44 -2.17 3 3 0 40 241.399 1 ↓

Parameters Provided:

ring.id = 47722
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 = 47722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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