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

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3S)-1-butyl-N-(3,4-dimethoxy…

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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) 3.92 9.4 -19.53 1 7 0 77 440.54 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3S)-1-butyl-N-(3,4-dimethoxy…

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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) 3.92 9.91 -15.89 1 7 0 77 440.54 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3R)-1-butyl-N-(3,4-dimethoxy…

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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) 3.92 9.99 -16.44 1 7 0 77 440.54 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3R)-1-butyl-N-(3,4-dimethoxy…

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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) 3.92 9.38 -19.09 1 7 0 77 440.54 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3S)-1-butyl-N-(3,5-dimethoxy…

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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) 4.31 8.79 -19.44 1 7 0 77 440.54 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3S)-1-butyl-N-(3,5-dimethoxy…

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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) 4.31 9.39 -15.97 1 7 0 77 440.54 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3R)-1-butyl-N-(3,5-dimethoxy…

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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) 4.31 9.35 -15.65 1 7 0 77 440.54 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3R)-1-butyl-N-(3,5-dimethoxy…

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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) 4.31 8.75 -19.53 1 7 0 77 440.54 9 ↓

Analogs

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Popular Name: (2R,3S)-N-(4-amino-3,5-dichloro-phenyl)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3S)-N-(4-amino-3,5-dichloro-…

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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) 4.96 9.15 -16.5 3 6 0 85 464.393 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-(4-amino-3,5-dichloro-phenyl)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3S)-N-(4-amino-3,5-dichloro-…

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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) 4.96 9.74 -13.36 3 6 0 85 464.393 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-(4-amino-3,5-dichloro-phenyl)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3R)-N-(4-amino-3,5-dichloro-…

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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) 4.96 9.73 -13.03 3 6 0 85 464.393 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-(4-amino-3,5-dichloro-phenyl)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3R)-N-(4-amino-3,5-dichloro-…

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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) 4.96 8.26 -20.67 3 6 0 85 464.393 7 ↓

Analogs

25401327
25401327
25401332
25401332
25401337
25401337
25401341
25401341

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-N-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3S)-1-butyl-N-(2-hydroxyphen…

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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) 4.00 7.4 -17.62 2 6 0 79 396.487 7 ↓

Analogs

25401327
25401327
25401332
25401332
25401337
25401337
25401341
25401341

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-N-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3S)-1-butyl-N-(2-hydroxyphen…

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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) 4.00 6.85 -17.21 2 6 0 79 396.487 7 ↓

Analogs

25401327
25401327
25401332
25401332
25401337
25401337
25401341
25401341

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-N-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3R)-1-butyl-N-(2-hydroxyphen…

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) 4.00 7.98 -15.06 2 6 0 79 396.487 7 ↓

Analogs

25401327
25401327
25401332
25401332
25401337
25401337
25401341
25401341

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-N-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3R)-1-butyl-N-(2-hydroxyphen…

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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) 4.00 7.4 -17.6 2 6 0 79 396.487 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-N-(4-fluorophenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3S)-1-butyl-N-(4-fluoropheny…

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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) 4.43 10.21 -16.97 1 5 0 59 398.478 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-N-(4-fluorophenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3S)-1-butyl-N-(4-fluoropheny…

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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) 4.43 9.67 -16.51 1 5 0 59 398.478 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-N-(4-fluorophenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2R,3R)-1-butyl-N-(4-fluoropheny…

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) 4.43 9.7 -16.69 1 5 0 59 398.478 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-N-(4-fluorophenyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide (2S,3R)-1-butyl-N-(4-fluoropheny…

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) 4.43 10.19 -17.01 1 5 0 59 398.478 7 ↓

Parameters Provided:

ring.id = 104031
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 = 104031 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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