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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: 5-bromo-1-(2-pyrrolidin-1-ylethyl)pyridin-2-one 5-bromo-1-(2-pyrrolidin-1-ylethy…

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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) 1.84 7.3 -41.22 1 3 1 26 272.166 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-nitro-1-(2-pyrrolidin-1-ylethyl)pyridin-2-one 5-nitro-1-(2-pyrrolidin-1-ylethy…

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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) 0.99 7.38 -47.69 1 6 1 72 238.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-5-nitro-1-(2-pyrrolidin-1-ylethyl)pyridin-2-one 6-methyl-5-nitro-1-(2-pyrrolidin…

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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) 1.21 7.6 -47.28 1 6 1 72 252.294 4 ↓

Analogs

42391211
42391211
42391213
42391213

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(5-amino-2-oxo-1-pyridyl)ethyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[2-(5-amino-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) -0.59 4.62 -48.05 3 6 1 73 279.364 4 ↓

Analogs

42391211
42391211
42391213
42391213

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(5-amino-2-oxo-1-pyridyl)ethyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-[2-(5-amino-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) -0.59 4.49 -37.61 3 6 1 73 279.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-oxo-1-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic 4,6-dimethyl-2-oxo-1-(2-pyrrolid…

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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) 1.20 9.09 -86.27 1 5 0 67 264.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]pyridin-2-one 5-amino-1-[2-[(3R)-3-(dimethylam…

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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) 0.26 3.23 -40.91 3 5 1 56 251.354 4 ↓
Hi High (pH 8-9.5) 0.26 0.82 -10.41 2 5 0 55 250.346 4 ↓
Lo Low (pH 4.5-6) 0.26 5.6 -109.65 4 5 2 57 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]pyridin-2-one 5-amino-1-[2-[(3S)-3-(dimethylam…

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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) 0.26 3.21 -43.01 3 5 1 56 251.354 4 ↓
Hi High (pH 8-9.5) 0.26 0.83 -10.95 2 5 0 55 250.346 4 ↓
Lo Low (pH 4.5-6) 0.26 5.67 -111.38 4 5 2 57 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethyl]pyridin-2-one 5-amino-1-[2-[(3R)-3-(diethylami…

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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) 1.01 4.28 -38.67 3 5 1 56 279.408 6 ↓
Hi High (pH 8-9.5) 1.01 2.17 -9.73 2 5 0 55 278.4 6 ↓
Lo Low (pH 4.5-6) 1.01 6.64 -110.05 4 5 2 57 280.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethyl]pyridin-2-one 5-amino-1-[2-[(3S)-3-(diethylami…

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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) 1.01 4.27 -41.08 3 5 1 56 279.408 6 ↓
Hi High (pH 8-9.5) 1.01 2.09 -10.58 2 5 0 55 278.4 6 ↓
Lo Low (pH 4.5-6) 1.01 6.66 -111.98 4 5 2 57 280.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-oxo-1-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic 6-methyl-2-oxo-1-(2-pyrrolidin-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) 0.44 8.53 -86.7 1 5 0 67 250.298 4 ↓

Analogs

42432710
42432710

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one 5-amino-1-[2-[(2R)-2-(hydroxymet…

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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) -0.13 1.91 -38.62 4 5 1 73 238.311 4 ↓

Analogs

42432709
42432709

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one 5-amino-1-[2-[(2S)-2-(hydroxymet…

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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) -0.13 1.97 -38.68 4 5 1 73 238.311 4 ↓

Parameters Provided:

ring.id = 26760
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 = 26760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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