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Analogs

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Popular Name: (2S,3R)-1-isopentyl-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2S,3R)-1-isopentyl-6-oxo-2-(2-t…

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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) 2.82 8.95 -40.32 0 4 -1 60 294.396 5 ↓

Analogs

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Popular Name: (2R,3R)-1-isopentyl-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2R,3R)-1-isopentyl-6-oxo-2-(2-t…

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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) 2.82 8.95 -43.39 0 4 -1 60 294.396 5 ↓

Analogs

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Popular Name: (2S,3S)-1-isopentyl-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2S,3S)-1-isopentyl-6-oxo-2-(2-t…

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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) 2.82 8.72 -40.69 0 4 -1 60 294.396 5 ↓

Analogs

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Popular Name: (2R,3S)-1-isopentyl-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2R,3S)-1-isopentyl-6-oxo-2-(2-t…

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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) 2.82 8.48 -48.67 0 4 -1 60 294.396 5 ↓

Analogs

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Popular Name: (2S,3R)-1-(2,2-dimethylpropyl)-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2S,3R)-1-(2,2-dimethylpropyl)-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) 2.87 8.67 -40.21 0 4 -1 60 294.396 4 ↓

Analogs

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Popular Name: (2R,3R)-1-(2,2-dimethylpropyl)-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2R,3R)-1-(2,2-dimethylpropyl)-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) 2.87 8.72 -43.04 0 4 -1 60 294.396 4 ↓

Analogs

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Popular Name: (2S,3S)-1-(2,2-dimethylpropyl)-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2S,3S)-1-(2,2-dimethylpropyl)-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) 2.87 8.45 -40.34 0 4 -1 60 294.396 4 ↓

Analogs

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Popular Name: (2R,3S)-1-(2,2-dimethylpropyl)-6-oxo-2-(2-thienyl)piperidine-3-carboxylic (2R,3S)-1-(2,2-dimethylpropyl)-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) 2.87 8.38 -43.78 0 4 -1 60 294.396 4 ↓

Analogs

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Popular Name: (2S,3R)-6-oxo-1-pentyl-2-(2-thienyl)piperidine-3-carboxylic (2S,3R)-6-oxo-1-pentyl-2-(2-thie…

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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) 3.11 9.23 -40.33 0 4 -1 60 294.396 6 ↓

Analogs

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Popular Name: (2R,3R)-6-oxo-1-pentyl-2-(2-thienyl)piperidine-3-carboxylic (2R,3R)-6-oxo-1-pentyl-2-(2-thie…

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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) 3.11 9.22 -43.32 0 4 -1 60 294.396 6 ↓

Analogs

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Popular Name: (2S,3S)-6-oxo-1-pentyl-2-(2-thienyl)piperidine-3-carboxylic (2S,3S)-6-oxo-1-pentyl-2-(2-thie…

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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) 3.11 9 -40.61 0 4 -1 60 294.396 6 ↓

Analogs

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Popular Name: (2R,3S)-6-oxo-1-pentyl-2-(2-thienyl)piperidine-3-carboxylic (2R,3S)-6-oxo-1-pentyl-2-(2-thie…

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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) 3.11 8.89 -48.49 0 4 -1 60 294.396 6 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-(3-methyl-2-thienyl)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) 1.97 5.02 -54.04 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.97 4.48 -6.06 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-1-tert-butyl-6-(3-methyl-2-thienyl)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) 1.97 4.27 -54.37 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.97 3.99 -6.65 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-1-tert-butyl-6-(3-methyl-2-thienyl)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) 1.97 4.28 -54.31 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.97 3.98 -5.63 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-1-tert-butyl-6-(3-methyl-2-thienyl)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) 1.97 4.62 -45.4 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.97 4.27 -6.99 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-(5-ethyl-2-thienyl)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) 2.39 6.23 -55.11 3 3 1 48 281.445 3 ↓
Hi High (pH 8-9.5) 2.39 5.65 -5.93 2 3 0 46 280.437 3 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-1-tert-butyl-6-(5-ethyl-2-thienyl)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) 2.39 5.48 -54.81 3 3 1 48 281.445 3 ↓
Hi High (pH 8-9.5) 2.39 5.19 -6.34 2 3 0 46 280.437 3 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-1-tert-butyl-6-(5-ethyl-2-thienyl)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) 2.39 5.45 -54.54 3 3 1 48 281.445 3 ↓
Hi High (pH 8-9.5) 2.39 5.16 -5.33 2 3 0 46 280.437 3 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-1-tert-butyl-6-(5-ethyl-2-thienyl)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) 2.39 5.82 -45.51 3 3 1 48 281.445 3 ↓
Hi High (pH 8-9.5) 2.39 5.48 -6.88 2 3 0 46 280.437 3 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-6-(4-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5R,6S)-5-amino-6-(4-bromo-2-thi…

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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) 2.33 5.25 -55.61 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.33 4.6 -5.88 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-6-(4-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5R,6R)-5-amino-6-(4-bromo-2-thi…

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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) 2.33 4.48 -55.67 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.33 4.21 -5.98 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-6-(4-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5S,6S)-5-amino-6-(4-bromo-2-thi…

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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) 2.33 4.45 -55.71 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.33 4.14 -5.13 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-6-(4-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5S,6R)-5-amino-6-(4-bromo-2-thi…

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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) 2.33 4.79 -48.43 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.33 4.43 -6.5 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-6-(5-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5R,6S)-5-amino-6-(5-bromo-2-thi…

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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 5.35 -59.39 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.53 4.72 -6.63 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-6-(5-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5R,6R)-5-amino-6-(5-bromo-2-thi…

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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 4.6 -58.81 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.53 4.32 -6.65 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-6-(5-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5S,6S)-5-amino-6-(5-bromo-2-thi…

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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 4.56 -58.85 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.53 4.26 -5.63 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-6-(5-bromo-2-thienyl)-1-tert-butyl-piperidin-2-one (5S,6R)-5-amino-6-(5-bromo-2-thi…

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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 4.91 -48.67 3 3 1 48 332.287 2 ↓
Hi High (pH 8-9.5) 2.53 4.56 -7.32 2 3 0 46 331.279 2 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-(5-methyl-2-thienyl)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) 1.82 5.44 -55.06 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.82 4.86 -6.12 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-1-tert-butyl-6-(5-methyl-2-thienyl)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) 1.82 4.69 -54.69 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.82 4.4 -6.56 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-1-tert-butyl-6-(5-methyl-2-thienyl)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) 1.82 4.66 -54.55 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.82 4.37 -5.58 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-1-tert-butyl-6-(5-methyl-2-thienyl)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) 1.82 5.03 -45.41 3 3 1 48 267.418 2 ↓
Hi High (pH 8-9.5) 1.82 4.69 -7.04 2 3 0 46 266.41 2 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-1-isobutyl-6-(3-methyl-2-thienyl)piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-(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) 1.91 5.76 -55.18 3 3 1 48 267.418 3 ↓
Hi High (pH 8-9.5) 1.91 5.65 -7.17 2 3 0 46 266.41 3 ↓

Analogs

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Popular Name: (5R,6R)-5-amino-1-isobutyl-6-(3-methyl-2-thienyl)piperidin-2-one (5R,6R)-5-amino-1-isobutyl-6-(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) 1.91 5.46 -55.21 3 3 1 48 267.418 3 ↓
Hi High (pH 8-9.5) 1.91 5.16 -6.96 2 3 0 46 266.41 3 ↓

Analogs

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Popular Name: (5S,6S)-5-amino-1-isobutyl-6-(3-methyl-2-thienyl)piperidin-2-one (5S,6S)-5-amino-1-isobutyl-6-(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) 1.91 5.52 -54.4 3 3 1 48 267.418 3 ↓
Hi High (pH 8-9.5) 1.91 5.2 -6.63 2 3 0 46 266.41 3 ↓

Analogs

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Popular Name: (5S,6R)-5-amino-1-isobutyl-6-(3-methyl-2-thienyl)piperidin-2-one (5S,6R)-5-amino-1-isobutyl-6-(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) 1.91 5.85 -46.06 3 3 1 48 267.418 3 ↓
Hi High (pH 8-9.5) 1.91 5.49 -7.27 2 3 0 46 266.41 3 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-6-(5-ethyl-2-thienyl)-1-isobutyl-piperidin-2-one (5R,6S)-5-amino-6-(5-ethyl-2-thi…

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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) 2.33 6.58 -55.44 3 3 1 48 281.445 4 ↓
Hi High (pH 8-9.5) 2.33 6.74 -7.09 2 3 0 46 280.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-6-(5-ethyl-2-thienyl)-1-isobutyl-piperidin-2-one (5R,6R)-5-amino-6-(5-ethyl-2-thi…

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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) 2.33 6.51 -55.33 3 3 1 48 281.445 4 ↓
Hi High (pH 8-9.5) 2.33 6.22 -6.75 2 3 0 46 280.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-6-(5-ethyl-2-thienyl)-1-isobutyl-piperidin-2-one (5S,6S)-5-amino-6-(5-ethyl-2-thi…

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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) 2.33 6.59 -55.66 3 3 1 48 281.445 4 ↓
Hi High (pH 8-9.5) 2.33 6.29 -6.36 2 3 0 46 280.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(5-ethyl-2-thienyl)-1-isobutyl-piperidin-2-one (5S,6R)-5-amino-6-(5-ethyl-2-thi…

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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) 2.33 6.88 -45.68 3 3 1 48 281.445 4 ↓
Hi High (pH 8-9.5) 2.33 6.57 -7.1 2 3 0 46 280.437 4 ↓

Analogs

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Popular Name: (5R,6S)-5-amino-6-(4-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5R,6S)-5-amino-6-(4-bromo-2-thi…

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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) 2.27 5.76 -56.72 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.27 5.69 -6.7 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-6-(4-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5R,6R)-5-amino-6-(4-bromo-2-thi…

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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) 2.27 5.61 -55.7 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.27 5.31 -6.24 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-6-(4-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5S,6S)-5-amino-6-(4-bromo-2-thi…

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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) 2.27 5.59 -56.63 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.27 5.29 -5.89 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(4-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5S,6R)-5-amino-6-(4-bromo-2-thi…

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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) 2.27 5.96 -48.53 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.27 5.63 -6.8 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-6-(5-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5R,6S)-5-amino-6-(5-bromo-2-thi…

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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) 2.46 5.87 -60.42 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.46 5.81 -7.59 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-6-(5-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5R,6R)-5-amino-6-(5-bromo-2-thi…

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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) 2.46 5.72 -58.87 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.46 5.43 -6.99 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-amino-6-(5-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5S,6S)-5-amino-6-(5-bromo-2-thi…

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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) 2.46 5.71 -60.34 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.46 5.4 -6.47 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-amino-6-(5-bromo-2-thienyl)-1-isobutyl-piperidin-2-one (5S,6R)-5-amino-6-(5-bromo-2-thi…

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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) 2.46 6.08 -49.03 3 3 1 48 332.287 3 ↓
Hi High (pH 8-9.5) 2.46 5.74 -7.73 2 3 0 46 331.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-isobutyl-6-(5-methyl-2-thienyl)piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-(5-…

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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) 1.75 5.79 -55.4 3 3 1 48 267.418 3 ↓
Hi High (pH 8-9.5) 1.75 5.96 -7.23 2 3 0 46 266.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-amino-1-isobutyl-6-(5-methyl-2-thienyl)piperidin-2-one (5R,6R)-5-amino-1-isobutyl-6-(5-…

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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) 1.75 5.72 -55.16 3 3 1 48 267.418 3 ↓
Hi High (pH 8-9.5) 1.75 5.43 -6.94 2 3 0 46 266.41 3 ↓

Parameters Provided:

ring.id = 355116
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 = 355116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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