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Analogs

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Popular Name: 2-(2-aminophenyl)-1-[4-(dimethylaminomethyl)-1-piperidyl]ethanone 2-(2-aminophenyl)-1-[4-(dimethyl…

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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) 1.71 7.38 -45.29 3 4 1 51 276.404 4 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-1-[4-(diethylamino)-1-piperidyl]ethanone 2-(2-aminophenyl)-1-[4-(diethyla…

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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) 2.07 7.52 -43.81 3 4 1 51 290.431 5 ↓

Analogs

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Popular Name: (2R)-2-amino-2-phenyl-1-(4-propyl-1-piperidyl)ethanone (2R)-2-amino-2-phenyl-1-(4-propy…

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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) 1.17 6.54 -42.72 3 3 1 48 261.389 4 ↓
Mid Mid (pH 6-8) 1.17 6.19 -8.08 2 3 0 46 260.381 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-phenyl-1-(4-propyl-1-piperidyl)ethanone (2S)-2-amino-2-phenyl-1-(4-propy…

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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) 1.17 6.51 -42.37 3 3 1 48 261.389 4 ↓
Mid Mid (pH 6-8) 1.17 6.18 -7.09 2 3 0 46 260.381 4 ↓

Analogs

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Popular Name: 2-(3-hydroxyphenyl)-1-(4-propyl-1-piperidyl)ethanone 2-(3-hydroxyphenyl)-1-(4-propyl-…

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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) 3.36 6.61 -9.77 1 3 0 41 261.365 4 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(3S)-3-hydroxy-1-piperidyl]-2-phenyl-ethanone (2S)-2-amino-1-[(3S)-3-hydroxy-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) -1.46 1.16 -45.41 4 4 1 68 235.307 2 ↓
Mid Mid (pH 6-8) -1.46 0.81 -9.75 3 4 0 67 234.299 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(3S)-3-hydroxy-1-piperidyl]-2-phenyl-ethanone (2R)-2-amino-1-[(3S)-3-hydroxy-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) -1.46 1.12 -45.91 4 4 1 68 235.307 2 ↓
Mid Mid (pH 6-8) -1.46 0.8 -10.66 3 4 0 67 234.299 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(3R)-3-hydroxy-1-piperidyl]-2-phenyl-ethanone (2S)-2-amino-1-[(3R)-3-hydroxy-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) -1.46 1.13 -45.84 4 4 1 68 235.307 2 ↓
Mid Mid (pH 6-8) -1.46 0.8 -9.77 3 4 0 67 234.299 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(3R)-3-hydroxy-1-piperidyl]-2-phenyl-ethanone (2R)-2-amino-1-[(3R)-3-hydroxy-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) -1.46 1.21 -45.59 4 4 1 68 235.307 2 ↓
Mid Mid (pH 6-8) -1.46 0.89 -10.61 3 4 0 67 234.299 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.62 7.46 -10.62 2 5 0 73 290.363 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.62 7.46 -10.21 2 5 0 73 290.363 5 ↓

Analogs

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Popular Name: (3S)-1-[(2R)-2-amino-2-phenyl-propanoyl]piperidine-3-carboxamide (3S)-1-[(2R)-2-amino-2-phenyl-pr…

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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 1.42 -13.03 4 5 0 89 275.352 3 ↓
Mid Mid (pH 6-8) 0.61 1.6 -51.98 5 5 1 91 276.36 3 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-amino-2-phenyl-propanoyl]piperidine-3-carboxamide (3S)-1-[(2S)-2-amino-2-phenyl-pr…

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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 1.45 -15.77 4 5 0 89 275.352 3 ↓
Mid Mid (pH 6-8) 0.61 1.69 -56.57 5 5 1 91 276.36 3 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-2-amino-2-phenyl-propanoyl]piperidine-3-carboxamide (3R)-1-[(2R)-2-amino-2-phenyl-pr…

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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 1.54 -13.74 4 5 0 89 275.352 3 ↓
Mid Mid (pH 6-8) 0.61 1.73 -55.66 5 5 1 91 276.36 3 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-amino-2-phenyl-propanoyl]piperidine-3-carboxamide (3R)-1-[(2S)-2-amino-2-phenyl-pr…

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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 1.48 -14.93 4 5 0 89 275.352 3 ↓
Mid Mid (pH 6-8) 0.61 1.72 -52.7 5 5 1 91 276.36 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-(4-methyl-1-piperidyl)-2-phenyl-propan-1-one (2R)-2-amino-1-(4-methyl-1-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) 2.25 5.28 -7.53 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.25 5.57 -45.72 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-(4-methyl-1-piperidyl)-2-phenyl-propan-1-one (2S)-2-amino-1-(4-methyl-1-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) 2.25 5.46 -6.31 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.25 5.67 -46.45 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2R)-2-methyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R)-2-methyl-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) 2.34 5.5 -5.46 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.34 5.69 -45.53 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2S)-2-methyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S)-2-methyl-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) 2.34 5.46 -5.06 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.34 5.65 -43.5 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(2R)-2-methyl-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2R)-2-methyl-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) 2.34 5.43 -6.69 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.34 5.7 -43.47 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(2S)-2-methyl-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2S)-2-methyl-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) 2.34 5.37 -6.72 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.34 5.6 -44.8 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(3R)-3-methyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3R)-3-methyl-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) 2.25 5.48 -5.88 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.25 5.67 -44.32 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(3S)-3-methyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3S)-3-methyl-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) 2.25 5.33 -6.1 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.25 5.57 -45.66 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(3R)-3-methyl-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(3R)-3-methyl-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) 2.25 5.39 -7.94 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.25 5.66 -46.39 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(3S)-3-methyl-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(3S)-3-methyl-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) 2.25 5.42 -7.79 2 3 0 46 246.354 2 ↓
Mid Mid (pH 6-8) 2.25 5.69 -44.46 3 3 1 48 247.362 2 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-phenyl-propanoyl]piperidine-4-carboxamide 1-[(2R)-2-amino-2-phenyl-propano…

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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 1.47 -12.91 4 5 0 89 275.352 3 ↓
Mid Mid (pH 6-8) 0.61 1.76 -46.71 5 5 1 91 276.36 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-phenyl-propanoyl]piperidine-4-carboxamide 1-[(2S)-2-amino-2-phenyl-propano…

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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 1.54 -13.1 4 5 0 89 275.352 3 ↓
Mid Mid (pH 6-8) 0.61 1.75 -55.47 5 5 1 91 276.36 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3S,5R)-3,5-dime…

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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) 2.73 5.88 -7.41 2 3 0 46 260.381 2 ↓
Mid Mid (pH 6-8) 2.73 6.16 -45.36 3 3 1 48 261.389 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3S,5S)-3,5-dime…

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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) 2.73 7.02 -7.36 2 3 0 46 260.381 2 ↓
Mid Mid (pH 6-8) 2.73 6.8 -46.08 3 3 1 48 261.389 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(3R,5R)-3,5-dime…

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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) 2.73 5.94 -7.27 2 3 0 46 260.381 2 ↓
Mid Mid (pH 6-8) 2.73 6.16 -45.41 3 3 1 48 261.389 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-(4-hydroxy-1-piperidyl)-2-phenyl-propan-1-one (2R)-2-amino-1-(4-hydroxy-1-pipe…

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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) 0.13 1.38 -9.4 3 4 0 67 248.326 2 ↓
Mid Mid (pH 6-8) 0.13 1.63 -48.69 4 4 1 68 249.334 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-(4-hydroxy-1-piperidyl)-2-phenyl-propan-1-one (2S)-2-amino-1-(4-hydroxy-1-pipe…

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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) 0.13 1.54 -7.25 3 4 0 67 248.326 2 ↓
Mid Mid (pH 6-8) 0.13 1.72 -44.58 4 4 1 68 249.334 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R)-2-(2-hydrox…

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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) 1.64 2.78 -8.4 3 4 0 67 276.38 4 ↓
Mid Mid (pH 6-8) 1.64 2.98 -45.97 4 4 1 68 277.388 4 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2R)-2-(2-hydrox…

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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) 1.64 2.73 -10.72 3 4 0 67 276.38 4 ↓
Mid Mid (pH 6-8) 1.64 2.97 -49.68 4 4 1 68 277.388 4 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S)-2-(2-hydrox…

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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) 1.64 2.67 -8.79 3 4 0 67 276.38 4 ↓
Mid Mid (pH 6-8) 1.64 2.86 -47.82 4 4 1 68 277.388 4 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2S)-2-(2-hydrox…

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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) 1.64 2.63 -10.53 3 4 0 67 276.38 4 ↓
Mid Mid (pH 6-8) 1.64 2.88 -46.52 4 4 1 68 277.388 4 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,6R)-2,6-dime…

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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) 2.67 6.35 -6.29 2 3 0 46 260.381 2 ↓
Mid Mid (pH 6-8) 2.67 5.79 -47.26 3 3 1 48 261.389 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S,6S)-2,6-dime…

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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) 2.67 5.68 -6.5 2 3 0 46 260.381 2 ↓
Mid Mid (pH 6-8) 2.67 5.93 -43.01 3 3 1 48 261.389 2 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R,6R)-2,6-dime…

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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) 2.67 6.09 -6.79 2 3 0 46 260.381 2 ↓
Mid Mid (pH 6-8) 2.67 6.34 -42.9 3 3 1 48 261.389 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.74 5.43 -10.27 2 5 0 73 290.363 4 ↓
Mid Mid (pH 6-8) 1.74 5.71 -46.37 3 5 1 74 291.371 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.74 5.49 -10.36 2 5 0 73 290.363 4 ↓
Mid Mid (pH 6-8) 1.74 5.7 -53.96 3 5 1 74 291.371 4 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[4-(hydroxymethyl)-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[4-(hydroxymethyl…

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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) 1.24 2.11 -9.73 3 4 0 67 262.353 3 ↓
Mid Mid (pH 6-8) 1.24 2.4 -48.12 4 4 1 68 263.361 3 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[4-(hydroxymethyl)-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[4-(hydroxymethyl…

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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) 1.24 2.18 -8.48 3 4 0 67 262.353 3 ↓
Mid Mid (pH 6-8) 1.24 2.38 -49.37 4 4 1 68 263.361 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2R)-2-ethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R)-2-ethyl-1-p…

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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) 2.88 5.91 -5.19 2 3 0 46 260.381 3 ↓
Mid Mid (pH 6-8) 2.88 6.15 -45.07 3 3 1 48 261.389 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2S)-2-ethyl-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2S)-2-ethyl-1-p…

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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) 2.88 6.08 -4.98 2 3 0 46 260.381 3 ↓
Mid Mid (pH 6-8) 2.88 6.3 -43.14 3 3 1 48 261.389 3 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(2R)-2-ethyl-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2R)-2-ethyl-1-p…

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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) 2.88 6.07 -6.58 2 3 0 46 260.381 3 ↓
Mid Mid (pH 6-8) 2.88 6.31 -43.43 3 3 1 48 261.389 3 ↓

Analogs

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Popular Name: (2S)-2-amino-1-[(2S)-2-ethyl-1-piperidyl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2S)-2-ethyl-1-p…

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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) 2.88 5.94 -6.65 2 3 0 46 260.381 3 ↓
Mid Mid (pH 6-8) 2.88 6.18 -44.79 3 3 1 48 261.389 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-(4-methoxy-1-piperidyl)-2-phenyl-propan-1-one (2R)-2-amino-1-(4-methoxy-1-pipe…

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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) 0.74 3.91 -6.45 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 0.74 4.11 -44.89 3 4 1 57 263.361 3 ↓

Analogs

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Popular Name: (2S)-2-amino-1-(4-methoxy-1-piperidyl)-2-phenyl-propan-1-one (2S)-2-amino-1-(4-methoxy-1-pipe…

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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) 0.74 3.85 -9.14 2 4 0 56 262.353 3 ↓
Mid Mid (pH 6-8) 0.74 4.09 -50.3 3 4 1 57 263.361 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-[(2R)-2-(hydroxymethyl)-1-piperidyl]-2-phenyl-propan-1-one (2R)-2-amino-1-[(2R)-2-(hydroxym…

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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) 1.36 3.57 -7.09 3 4 0 67 262.353 3 ↓
Mid Mid (pH 6-8) 1.36 3.82 -41.42 4 4 1 68 263.361 3 ↓

Parameters Provided:

ring.id = 6054
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 = 6054 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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