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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: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-(3-methoxypropyl)-6-oxo-piperidine-3-carboxylic (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.54 7.54 -42.92 0 6 -1 79 332.376 6 ↓
Lo Low (pH 4.5-6) 1.54 5.54 -11.87 1 6 0 76 333.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-(3-methoxypropyl)-6-oxo-piperidine-3-carboxylic (2R,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.54 7.54 -46.3 0 6 -1 79 332.376 6 ↓
Lo Low (pH 4.5-6) 1.54 5.37 -11.75 1 6 0 76 333.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-(3-methoxypropyl)-6-oxo-piperidine-3-carboxylic (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.54 7.41 -42.63 0 6 -1 79 332.376 6 ↓
Lo Low (pH 4.5-6) 1.54 5.46 -11.45 1 6 0 76 333.384 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-(3-methoxypropyl)-6-oxo-piperidine-3-carboxylic (2R,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.54 6.86 -55.72 0 6 -1 79 332.376 6 ↓
Lo Low (pH 4.5-6) 1.54 4.87 -18.37 1 6 0 76 333.384 6 ↓

Analogs

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Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.27 6.92 -43.63 0 6 -1 79 318.349 5 ↓
Lo Low (pH 4.5-6) 1.27 4.9 -10.29 1 6 0 76 319.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2R,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.27 7.08 -46.39 0 6 -1 79 318.349 5 ↓
Lo Low (pH 4.5-6) 1.27 4.92 -12.04 1 6 0 76 319.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.27 6.72 -43.49 0 6 -1 79 318.349 5 ↓
Lo Low (pH 4.5-6) 1.27 4.77 -10.56 1 6 0 76 319.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2R,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.27 7.64 -48.4 0 6 -1 79 318.349 5 ↓
Lo Low (pH 4.5-6) 1.27 4.47 -17.95 1 6 0 76 319.357 5 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-1-tert-butyl-6-(2,3-dihydrobenzofuran-5-yl)piperidin-2-one (5R,6R)-5-amino-1-tert-butyl-6-(…

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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) 1.72 5.38 -60.02 3 4 1 57 289.399 2 ↓
Hi High (pH 8-9.5) 1.72 4.97 -8.13 2 4 0 56 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-(2,3-dihydrobenzofuran-5-yl)piperidin-2-one (5R,6S)-5-amino-1-tert-butyl-6-(…

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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) 1.72 4.61 -58.8 3 4 1 57 289.399 2 ↓
Hi High (pH 8-9.5) 1.72 4.32 -8.09 2 4 0 56 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-1-tert-butyl-6-(2,3-dihydrobenzofuran-5-yl)piperidin-2-one (5S,6R)-5-amino-1-tert-butyl-6-(…

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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) 1.72 4.6 -59.46 3 4 1 57 289.399 2 ↓
Hi High (pH 8-9.5) 1.72 4.32 -7.18 2 4 0 56 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-1-tert-butyl-6-(2,3-dihydrobenzofuran-5-yl)piperidin-2-one (5S,6S)-5-amino-1-tert-butyl-6-(…

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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) 1.72 5.14 -50.86 3 4 1 57 289.399 2 ↓
Hi High (pH 8-9.5) 1.72 4.85 -8.34 2 4 0 56 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-piperidin-2-one (5R,6R)-5-amino-6-(2,3-dihydrobe…

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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 6.02 -60.64 3 4 1 57 289.399 3 ↓
Hi High (pH 8-9.5) 1.66 6.01 -8.37 2 4 0 56 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-piperidin-2-one (5R,6S)-5-amino-6-(2,3-dihydrobe…

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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 5.74 -59.79 3 4 1 57 289.399 3 ↓
Hi High (pH 8-9.5) 1.66 5.46 -9.12 2 4 0 56 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-piperidin-2-one (5S,6R)-5-amino-6-(2,3-dihydrobe…

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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 5.85 -60.15 3 4 1 57 289.399 3 ↓
Hi High (pH 8-9.5) 1.66 5.56 -7.33 2 4 0 56 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-piperidin-2-one (5S,6S)-5-amino-6-(2,3-dihydrobe…

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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 6.21 -51.54 3 4 1 57 289.399 3 ↓
Hi High (pH 8-9.5) 1.66 5.91 -9.4 2 4 0 56 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)piperidin-2-one (5R,6R)-5-amino-6-(2,3-dihydrobe…

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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) 0.52 3.93 -55.52 3 5 1 66 291.371 4 ↓
Hi High (pH 8-9.5) 0.52 3.85 -8.55 2 5 0 65 290.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)piperidin-2-one (5R,6S)-5-amino-6-(2,3-dihydrobe…

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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) 0.52 3.78 -61.1 3 5 1 66 291.371 4 ↓
Hi High (pH 8-9.5) 0.52 3.49 -10.95 2 5 0 65 290.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)piperidin-2-one (5S,6R)-5-amino-6-(2,3-dihydrobe…

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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) 0.52 3.69 -56.9 3 5 1 66 291.371 4 ↓
Hi High (pH 8-9.5) 0.52 3.39 -7.89 2 5 0 65 290.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-6-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)piperidin-2-one (5S,6S)-5-amino-6-(2,3-dihydrobe…

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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) 0.52 4.3 -52.91 3 5 1 66 291.371 4 ↓
Hi High (pH 8-9.5) 0.52 3.97 -11.28 2 5 0 65 290.363 4 ↓

Parameters Provided:

ring.id = 355090
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 = 355090 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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