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

23066422
23066422
23071366
23071366

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-[(2R)-2-ethyl-1-piperidyl]-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-[(2R)-2-ethyl-1-piperi…

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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) 1.52 5.21 -115.57 4 4 2 51 270.417 2 ↓
Hi High (pH 8-9.5) 1.52 3.17 -40.28 3 4 1 49 269.409 2 ↓
Hi High (pH 8-9.5) 1.52 5.11 -28.07 3 4 1 49 269.409 2 ↓

Analogs

23066422
23066422
23071366
23071366

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-[(2S)-2-ethyl-1-piperidyl]-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-[(2S)-2-ethyl-1-piperi…

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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) 1.52 5.42 -116.13 4 4 2 51 270.417 2 ↓
Hi High (pH 8-9.5) 1.52 3.14 -40.4 3 4 1 49 269.409 2 ↓
Hi High (pH 8-9.5) 1.52 5.33 -27.82 3 4 1 49 269.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4-ethyl-4-methyl-1-pi…

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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) 1.64 3.64 -40.78 3 4 1 49 283.436 2 ↓
Hi High (pH 8-9.5) 1.64 5.63 -121.17 4 4 2 51 284.444 2 ↓
Hi High (pH 8-9.5) 1.64 3.35 -2.72 2 4 0 48 282.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(4-ethyl-4-methyl-1-pi…

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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) 1.64 3.31 -41.55 3 4 1 49 283.436 2 ↓
Hi High (pH 8-9.5) 1.64 2.95 -2.75 2 4 0 48 282.428 2 ↓
Hi High (pH 8-9.5) 1.64 5.17 -123.51 4 4 2 51 284.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(4-ethyl-4-methyl-1-pi…

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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) 1.64 3.28 -41.5 3 4 1 49 283.436 2 ↓
Hi High (pH 8-9.5) 1.64 2.6 -2.72 2 4 0 48 282.428 2 ↓
Hi High (pH 8-9.5) 1.64 5.19 -122.98 4 4 2 51 284.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-(4-ethyl-4-methyl-1-pi…

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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) 1.64 3.64 -40.77 3 4 1 49 283.436 2 ↓
Hi High (pH 8-9.5) 1.64 2.96 -2.77 2 4 0 48 282.428 2 ↓
Hi High (pH 8-9.5) 1.64 5.63 -121.3 4 4 2 51 284.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4-ethyl-4-methyl-1-pi…

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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) 2.55 6.52 -32.11 2 4 1 35 297.463 3 ↓
Hi High (pH 8-9.5) 2.55 4.67 -2.23 1 4 0 34 296.455 3 ↓
Lo Low (pH 4.5-6) 2.55 7.38 -112.68 3 4 2 40 298.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(4-ethyl-4-methyl-1-pi…

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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) 2.55 5.69 -31.64 2 4 1 35 297.463 3 ↓
Hi High (pH 8-9.5) 2.55 3.95 -2.32 1 4 0 34 296.455 3 ↓
Lo Low (pH 4.5-6) 2.55 6.93 -114.55 3 4 2 40 298.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(4-ethyl-4-methyl-1-pi…

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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) 2.55 5.8 -29.45 2 4 1 35 297.463 3 ↓
Hi High (pH 8-9.5) 2.55 3.46 -2.53 1 4 0 34 296.455 3 ↓
Lo Low (pH 4.5-6) 2.55 6.94 -115.38 3 4 2 40 298.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-(4-ethyl-4-methyl-1-pi…

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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) 2.55 6.29 -29.92 2 4 1 35 297.463 3 ↓
Hi High (pH 8-9.5) 2.55 3.92 -2.53 1 4 0 34 296.455 3 ↓
Lo Low (pH 4.5-6) 2.55 7.38 -113.94 3 4 2 40 298.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4,4-diethyl-1-piperid…

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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) 1.97 4.15 -40.71 3 4 1 49 297.463 3 ↓
Hi High (pH 8-9.5) 1.97 6.1 -122.64 4 4 2 51 298.471 3 ↓
Hi High (pH 8-9.5) 1.97 3.91 -2.66 2 4 0 48 296.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(4,4-diethyl-1-piperid…

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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) 1.97 3.87 -41.46 3 4 1 49 297.463 3 ↓
Hi High (pH 8-9.5) 1.97 5.66 -124.9 4 4 2 51 298.471 3 ↓
Hi High (pH 8-9.5) 1.97 3.61 -2.53 2 4 0 48 296.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(4,4-diethyl-1-piperid…

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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) 1.97 3.73 -41.82 3 4 1 49 297.463 3 ↓
Hi High (pH 8-9.5) 1.97 3.11 -2.83 2 4 0 48 296.455 3 ↓
Hi High (pH 8-9.5) 1.97 5.68 -123.75 4 4 2 51 298.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-(4,4-diethyl-1-piperid…

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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) 1.97 4.12 -41.04 3 4 1 49 297.463 3 ↓
Hi High (pH 8-9.5) 1.97 6.1 -121.68 4 4 2 51 298.471 3 ↓
Hi High (pH 8-9.5) 1.97 3.42 -2.82 2 4 0 48 296.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-(4-ethyl-4-methyl-1-pi…

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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 4.91 -31.74 2 4 1 43 284.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8S)-7-(4-ethyl-4-methyl-1-pi…

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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 4.56 -31.27 2 4 1 43 284.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8R)-7-(4-ethyl-4-methyl-1-pi…

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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 4.55 -31.1 2 4 1 43 284.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8R)-7-(4-ethyl-4-methyl-1-pi…

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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 4.92 -31.96 2 4 1 43 284.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-(4,4-diethyl-1-piperid…

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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) 2.46 5.38 -32.24 2 4 1 43 298.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8S)-7-(4,4-diethyl-1-piperid…

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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) 2.46 5.01 -31.73 2 4 1 43 298.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8R)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7R,8R)-7-(4,4-diethyl-1-piperid…

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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) 2.46 5.04 -30.57 2 4 1 43 298.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8R)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-ol (7S,8R)-7-(4,4-diethyl-1-piperid…

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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) 2.46 5.38 -31.3 2 4 1 43 298.447 3 ↓

Parameters Provided:

ring.id = 139303
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 = 139303 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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