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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-(benzothiophen-3-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2S,3R)-2-(benzothiophen-3-yl)-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) 2.14 8.61 -45.22 0 5 -1 70 332.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(benzothiophen-3-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2R,3R)-2-(benzothiophen-3-yl)-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) 2.14 8.87 -46.04 0 5 -1 70 332.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(benzothiophen-3-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2S,3S)-2-(benzothiophen-3-yl)-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) 2.14 8.51 -44.16 0 5 -1 70 332.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(benzothiophen-3-yl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic (2R,3S)-2-(benzothiophen-3-yl)-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) 2.14 9.22 -47.97 0 5 -1 70 332.401 5 ↓

Analogs

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

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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) 2.59 7.24 -53.88 3 3 1 48 303.451 2 ↓
Hi High (pH 8-9.5) 2.59 6.44 -6.66 2 3 0 46 302.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.59 6.07 -54.93 3 3 1 48 303.451 2 ↓
Hi High (pH 8-9.5) 2.59 5.8 -6.94 2 3 0 46 302.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.59 6.13 -55.06 3 3 1 48 303.451 2 ↓
Hi High (pH 8-9.5) 2.59 5.82 -5.74 2 3 0 46 302.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.59 6.59 -49.9 3 3 1 48 303.451 2 ↓
Hi High (pH 8-9.5) 2.59 6.3 -6.79 2 3 0 46 302.443 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.53 7.92 -54.65 3 3 1 48 303.451 3 ↓
Hi High (pH 8-9.5) 2.53 7.92 -7.53 2 3 0 46 302.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.53 7.61 -58.56 3 3 1 48 303.451 3 ↓
Hi High (pH 8-9.5) 2.53 7.31 -8.26 2 3 0 46 302.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.53 7.67 -57.79 3 3 1 48 303.451 3 ↓
Hi High (pH 8-9.5) 2.53 7.36 -6.54 2 3 0 46 302.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.53 7.6 -49.69 3 3 1 48 303.451 3 ↓
Hi High (pH 8-9.5) 2.53 7.3 -7.64 2 3 0 46 302.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.39 5.84 -50.17 3 4 1 57 305.423 4 ↓
Hi High (pH 8-9.5) 1.39 5.67 -7.6 2 4 0 56 304.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.39 5.83 -56.87 3 4 1 57 305.423 4 ↓
Hi High (pH 8-9.5) 1.39 5.59 -9.62 2 4 0 56 304.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.39 5.4 -54.09 3 4 1 57 305.423 4 ↓
Hi High (pH 8-9.5) 1.39 5.1 -6.86 2 4 0 56 304.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.39 6.17 -51.15 3 4 1 57 305.423 4 ↓
Hi High (pH 8-9.5) 1.39 5.86 -9.51 2 4 0 56 304.415 4 ↓

Parameters Provided:

ring.id = 355087
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 = 355087 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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