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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: 1-(3-thienylmethyl)piperidin-4-one 1-(3-thienylmethyl)piperidin-4-one

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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) 0.90 6.3 -44.53 1 2 1 22 196.295 2 ↓
Mid Mid (pH 6-8) 0.90 4.1 -5.39 0 2 0 20 195.287 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-thienyl)ethyl]piperidin-4-one 1-[(1S)-1-(3-thienyl)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) 1.46 6.96 -42.01 1 2 1 22 210.322 2 ↓
Mid Mid (pH 6-8) 1.46 4.94 -5 0 2 0 20 209.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(3-thienyl)ethyl]piperidin-4-one 1-[(1R)-1-(3-thienyl)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) 1.46 6.96 -42.01 1 2 1 22 210.322 2 ↓
Mid Mid (pH 6-8) 1.46 4.94 -4.99 0 2 0 20 209.314 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1S)-1-(3-thienyl)ethyl]piperidin-4-one (3R)-3-methyl-1-[(1S)-1-(3-thien…

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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) 1.94 7.6 -41.99 1 2 1 22 224.349 2 ↓
Mid Mid (pH 6-8) 1.94 5.57 -4.72 0 2 0 20 223.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(1S)-1-(3-thienyl)ethyl]piperidin-4-one (3S)-3-methyl-1-[(1S)-1-(3-thien…

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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) 1.94 7.61 -41.99 1 2 1 22 224.349 2 ↓
Mid Mid (pH 6-8) 1.94 5.53 -4.64 0 2 0 20 223.341 2 ↓

Analogs

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Popular Name: (2R)-2-methyl-1-[(1S)-1-(3-thienyl)ethyl]piperidin-4-one (2R)-2-methyl-1-[(1S)-1-(3-thien…

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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) 1.79 6.74 -41.23 1 2 1 22 224.349 2 ↓
Mid Mid (pH 6-8) 1.79 4.48 -5.44 0 2 0 20 223.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-1-[(1S)-1-(3-thienyl)ethyl]piperidin-4-one (2S)-2-methyl-1-[(1S)-1-(3-thien…

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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) 1.79 7.03 -40.01 1 2 1 22 224.349 2 ↓
Mid Mid (pH 6-8) 1.79 5.28 -4.77 0 2 0 20 223.341 2 ↓

Parameters Provided:

ring.id = 115579
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 = 115579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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