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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: 3-amino-1-[2-oxo-2-(1-piperidyl)ethyl]pyridin-2-one 3-amino-1-[2-oxo-2-(1-piperidyl)…

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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) 0.02 3.96 -16.37 2 5 0 68 235.287 2 ↓

Analogs

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Popular Name: 4-methyl-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]pyridin-2-one 4-methyl-1-[2-(4-methyl-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) 1.23 7.27 -17.7 0 4 0 42 248.326 2 ↓

Analogs

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Popular Name: 6-methyl-5-nitro-1-[2-oxo-2-(1-piperidyl)ethyl]pyridin-2-one 6-methyl-5-nitro-1-[2-oxo-2-(1-p…

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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) 1.04 6.92 -14.89 0 7 0 88 279.296 3 ↓

Analogs

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Popular Name: 6-methyl-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-5-nitro-pyridin-2-one 6-methyl-1-[2-(4-methyl-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) 1.28 7.51 -14.75 0 7 0 88 293.323 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-oxo-1-[2-oxo-2-(1-piperidyl)ethyl]pyridine-3-carboxylic 4,6-dimethyl-2-oxo-1-[2-oxo-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) 1.03 8.44 -77.84 0 6 -1 82 291.327 3 ↓

Analogs

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Popular Name: 1-[2-(5-bromo-2-oxo-1-pyridyl)acetyl]-4-methyl-piperidine-4-carboxylic 1-[2-(5-bromo-2-oxo-1-pyridyl)ac…

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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) 1.02 7.41 -53.07 0 6 -1 82 356.196 3 ↓

Analogs

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Popular Name: (3S)-1-[2-(5-bromo-2-oxo-1-pyridyl)acetyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(5-bromo-2-oxo-1-pyrid…

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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) 1.02 7.86 -60.82 0 6 -1 82 356.196 3 ↓

Analogs

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Popular Name: (3R)-1-[2-(5-bromo-2-oxo-1-pyridyl)acetyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-(5-bromo-2-oxo-1-pyrid…

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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) 1.02 7.87 -60.74 0 6 -1 82 356.196 3 ↓

Analogs

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Popular Name: 5-amino-1-[2-(4-ethyl-4-methyl-1-piperidyl)-2-oxo-ethyl]pyridin-2-one 5-amino-1-[2-(4-ethyl-4-methyl-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) 1.33 5.24 -17.13 2 5 0 68 277.368 3 ↓

Analogs

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Popular Name: 5-amino-1-[2-(4,4-diethyl-1-piperidyl)-2-oxo-ethyl]pyridin-2-one 5-amino-1-[2-(4,4-diethyl-1-pipe…

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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 5.71 -16.29 2 5 0 68 291.395 4 ↓

Analogs

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Popular Name: 1-[2-oxo-2-[(3S)-3-propoxy-1-piperidyl]ethyl]-3-(trifluoromethyl)pyridin-2-one 1-[2-oxo-2-[(3S)-3-propoxy-1-pip…

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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) 1.78 7.78 -22.55 0 5 0 52 346.349 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.71 7.29 -23.52 0 6 0 69 292.335 4 ↓

Analogs

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Popular Name: 1-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-4-methyl-pyridin-2-one 1-[2-[(2S,6R)-2,6-dimethyl-1-pip…

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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 7.44 -16.67 0 4 0 42 262.353 2 ↓

Analogs

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Popular Name: 1-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-4-methyl-pyridin-2-one 1-[2-[(2S,6S)-2,6-dimethyl-1-pip…

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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 7.82 -16.74 0 4 0 42 262.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-4-methyl-pyridin-2-one 1-[2-[(2R,6R)-2,6-dimethyl-1-pip…

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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 7.83 -16.66 0 4 0 42 262.353 2 ↓

Analogs

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Popular Name: N-[(3R)-1-[2-(2-oxo-1-pyridyl)acetyl]-3-piperidyl]acetamide N-[(3R)-1-[2-(2-oxo-1-pyridyl)ac…

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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) -0.79 4.35 -27.58 1 6 0 71 277.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-[2-(2-oxo-1-pyridyl)acetyl]-3-piperidyl]acetamide N-[(3S)-1-[2-(2-oxo-1-pyridyl)ac…

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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) -0.79 4.35 -31.16 1 6 0 71 277.324 3 ↓

Analogs

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Popular Name: 6-methyl-2-oxo-1-[2-oxo-2-(1-piperidyl)ethyl]pyridine-3-carboxylic 6-methyl-2-oxo-1-[2-oxo-2-(1-pip…

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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) 0.27 7.85 -77.44 0 6 -1 82 277.3 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 10458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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