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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-(cyclopentylmethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2S,6R)…

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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) 2.13 4.88 -41.91 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.13 7.14 -121.25 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2S,6S)…

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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) 2.13 5.18 -41.9 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.13 7.09 -120.6 3 3 2 30 242.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2R,6R)…

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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) 2.13 5.18 -42.18 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.13 7.12 -120.97 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2R)-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) 1.77 4.13 -41.58 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.77 6.4 -119.7 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2S)-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) 1.77 4.13 -41.6 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.77 6.4 -119.69 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(3R)-3-…

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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) 1.74 3.99 -41.58 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.74 6.16 -116.59 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(3S)-3-methylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(3S)-3-…

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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) 1.74 3.99 -41.57 2 3 1 29 227.372 5 ↓
Lo Low (pH 4.5-6) 1.74 6.16 -116.69 3 3 2 30 228.38 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2R,5R)…

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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) 2.10 4.57 -41.77 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.10 6.74 -119.32 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2S,5R)…

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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) 2.10 4.74 -41.93 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.10 6.92 -118.12 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(2R)-2-ethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2R)-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) 2.27 4.97 -41.47 2 3 1 29 241.399 6 ↓
Lo Low (pH 4.5-6) 2.27 7.22 -120.77 3 3 2 30 242.407 6 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(2S)-2-ethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2S)-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) 2.27 4.97 -41.48 2 3 1 29 241.399 6 ↓
Lo Low (pH 4.5-6) 2.27 7.22 -120.79 3 3 2 30 242.407 6 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-(2,2-dimethylmorpholin-4-yl)ethanamine N-(cyclopentylmethyl)-2-(2,2-dim…

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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) 2.21 5.06 -42.08 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.21 7.01 -120.82 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(3R)-3-ethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(3R)-3-…

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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) 2.27 4.63 -41.83 2 3 1 29 241.399 6 ↓
Lo Low (pH 4.5-6) 2.27 6.78 -118.63 3 3 2 30 242.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-[(3S)-3-ethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(3S)-3-…

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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) 2.27 4.64 -41.86 2 3 1 29 241.399 6 ↓
Lo Low (pH 4.5-6) 2.27 6.8 -118.66 3 3 2 30 242.407 6 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(6R)-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) 2.58 5.78 -42.24 2 3 1 29 255.426 5 ↓
Lo Low (pH 4.5-6) 2.58 7.73 -122.01 3 3 2 30 256.434 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(6S)-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) 2.58 5.78 -42.19 2 3 1 29 255.426 5 ↓
Lo Low (pH 4.5-6) 2.58 7.74 -122.04 3 3 2 30 256.434 5 ↓

Analogs

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

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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) 2.63 5.65 -42.29 2 3 1 29 255.426 6 ↓
Lo Low (pH 4.5-6) 2.63 7.49 -119.44 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.63 5.39 -42.23 2 3 1 29 255.426 6 ↓
Lo Low (pH 4.5-6) 2.63 7.55 -120.09 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.63 5.38 -42.18 2 3 1 29 255.426 6 ↓
Lo Low (pH 4.5-6) 2.63 7.53 -120.01 3 3 2 30 256.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethanamine N-(cyclopentylmethyl)-2-[(2S,5S)…

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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) 2.63 5.67 -42.26 2 3 1 29 255.426 6 ↓
Lo Low (pH 4.5-6) 2.63 7.52 -119.45 3 3 2 30 256.434 6 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine N-(cyclopentylmethyl)-2-(3,3-dim…

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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) 2.21 4.37 -41.72 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.21 6.46 -116.35 3 3 2 30 242.407 5 ↓

Parameters Provided:

ring.id = 47524
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 = 47524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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