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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43413161
43413161

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Popular Name: 1-(6-oxopyran-3-carbonyl)piperidine-4-carboxylic 1-(6-oxopyran-3-carbonyl)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) -0.38 5.2 -51.83 0 6 -1 91 250.23 2 ↓

Analogs

38488800
38488800
44456383
44456383
4980921
4980921
2340210
2340210

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Popular Name: 5-(4-aminopiperidine-1-carbonyl)pyran-2-one 5-(4-aminopiperidine-1-carbonyl)…

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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) -1.13 2.98 -58.96 3 5 1 78 223.252 1 ↓

Analogs

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Popular Name: 3-bromo-5-(3,3-dimethylpiperidine-1-carbonyl)pyran-2-one 3-bromo-5-(3,3-dimethylpiperidin…

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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) 1.90 7.68 -10.85 0 4 0 51 314.179 1 ↓

Analogs

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Popular Name: 4-methyl-1-(6-oxopyran-3-carbonyl)piperidine-4-carboxylic 4-methyl-1-(6-oxopyran-3-carbony…

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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) -0.14 6.55 -51.67 0 6 -1 91 264.257 2 ↓

Analogs

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Popular Name: 4-ethyl-1-(6-oxopyran-3-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(6-oxopyran-3-carbonyl…

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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) 0.20 6.99 -50.79 0 6 -1 91 278.284 3 ↓

Analogs

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Popular Name: 1-(6-oxopyran-3-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(6-oxopyran-3-carbonyl)-4-prop…

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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) 0.76 7.77 -51.22 0 6 -1 91 292.311 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(6-oxopyran-3-ca…

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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) -0.14 7 -52.79 0 6 -1 91 264.257 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(6-oxopyran-3-ca…

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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) -0.14 7 -46.14 0 6 -1 91 264.257 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(6-oxopyran-3-car…

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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) 0.20 7.46 -51.17 0 6 -1 91 278.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(6-oxopyran-3-car…

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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) 0.20 7.52 -51.13 0 6 -1 91 278.284 3 ↓

Analogs

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Popular Name: (3S)-1-(6-oxopyran-3-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(6-oxopyran-3-carbonyl)-3…

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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) 0.76 8.22 -51.66 0 6 -1 91 292.311 4 ↓

Analogs

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Popular Name: (3R)-1-(6-oxopyran-3-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(6-oxopyran-3-carbonyl)-3…

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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) 0.76 8.26 -51.61 0 6 -1 91 292.311 4 ↓

Analogs

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Popular Name: 5-[4-(2-aminoethyl)piperidine-1-carbonyl]pyran-2-one 5-[4-(2-aminoethyl)piperidine-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) -0.37 4.36 -57.1 3 5 1 78 251.306 3 ↓

Analogs

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Popular Name: 5-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]pyran-2-one 5-[4-[2-(methylamino)ethyl]piper…

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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) 0.61 6.22 -51.75 2 5 1 67 265.333 4 ↓

Analogs

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Popular Name: 5-[(2S)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]pyran-2-one 5-[(2S)-2-[2-(methylamino)ethyl]…

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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) 0.55 5.96 -44.84 2 5 1 67 265.333 4 ↓

Analogs

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Popular Name: 5-[(2R)-2-[2-(methylamino)ethyl]piperidine-1-carbonyl]pyran-2-one 5-[(2R)-2-[2-(methylamino)ethyl]…

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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) 0.55 5.96 -44.95 2 5 1 67 265.333 4 ↓

Parameters Provided:

ring.id = 48914
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 = 48914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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