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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: 2-(4-chlorophenoxy)-1-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]ethanone 2-(4-chlorophenoxy)-1-[(2R)-2-(1…

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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) 2.72 7.89 -11.93 0 5 0 48 325.792 4 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-1-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]ethanone 2-(4-chlorophenoxy)-1-[(2S)-2-(1…

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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) 2.72 7.91 -11.98 0 5 0 48 325.792 4 ↓

Analogs

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Popular Name: 2-[(1S)-2-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethoxy]benzonitrile 2-[(1S)-2-[(2R)-2-(1,3-dioxolan-…

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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 8.12 -20.53 0 6 0 72 330.384 4 ↓

Analogs

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Popular Name: 2-[(1R)-2-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethoxy]benzonitrile 2-[(1R)-2-[(2R)-2-(1,3-dioxolan-…

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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 8.15 -20.23 0 6 0 72 330.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethoxy]benzonitrile 2-[(1S)-2-[(2S)-2-(1,3-dioxolan-…

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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 8.02 -20.09 0 6 0 72 330.384 4 ↓

Analogs

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Popular Name: 2-[(1R)-2-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethoxy]benzonitrile 2-[(1R)-2-[(2S)-2-(1,3-dioxolan-…

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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 8.05 -20.28 0 6 0 72 330.384 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-2-phenoxy-ethanone 1-[(2R)-2-(1,3-dioxolan-2-yl)-1-…

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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) 2.04 7.36 -12.56 0 5 0 48 291.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-2-phenoxy-ethanone 1-[(2S)-2-(1,3-dioxolan-2-yl)-1-…

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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) 2.04 7.39 -12.6 0 5 0 48 291.347 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-2-(2-methoxyphenoxy)ethanone 1-[(2R)-2-(1,3-dioxolan-2-yl)-1-…

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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) 1.66 7.12 -16.19 0 6 0 57 321.373 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-2-(2-methoxyphenoxy)ethanone 1-[(2S)-2-(1,3-dioxolan-2-yl)-1-…

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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) 1.66 7.15 -16.32 0 6 0 57 321.373 5 ↓

Parameters Provided:

ring.id = 338682
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 = 338682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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