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Analogs

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Popular Name: 1-[(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]ethanone 1-[(3S)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.98 5.01 -48.75 1 5 1 60 224.284 3 ↓
Mid Mid (pH 6-8) 0.98 2.78 -10.69 0 5 0 59 223.276 3 ↓

Analogs

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Popular Name: 1-[(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]ethanone 1-[(3R)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.98 5.4 -49.81 1 5 1 60 224.284 3 ↓
Mid Mid (pH 6-8) 0.98 3.15 -11.09 0 5 0 59 223.276 3 ↓

Analogs

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Popular Name: 1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]ethanone 1-[1-[(4-methyl-1,2,5-oxadiazol-…

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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) 0.98 5.45 -56.62 1 5 1 60 224.284 3 ↓
Hi High (pH 8-9.5) 0.98 3.18 -14.67 0 5 0 59 223.276 3 ↓

Analogs

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Popular Name: 1-[(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]ethanone 1-[(2R)-1-[(4-methyl-1,2,5-oxadi…

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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) 1.10 3.34 -8.14 0 5 0 59 223.276 3 ↓
Mid Mid (pH 6-8) 1.10 5.46 -39.86 1 5 1 60 224.284 3 ↓

Analogs

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Popular Name: 1-[(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]ethanone 1-[(2S)-1-[(4-methyl-1,2,5-oxadi…

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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) 1.10 2.99 -15.53 0 5 0 59 223.276 3 ↓
Mid Mid (pH 6-8) 1.10 5.1 -48.73 1 5 1 60 224.284 3 ↓

Analogs

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Popular Name: (2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-2-carboxylic (2R)-1-[(4-methyl-1,2,5-oxadiazo…

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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) -0.66 5.51 -26.33 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -0.66 3.35 -37.36 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: (2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-2-carboxylic (2S)-1-[(4-methyl-1,2,5-oxadiazo…

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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) -0.66 5.07 -40.1 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -0.66 3.1 -52.27 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine 1-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) -0.07 -0.08 -51.03 3 5 1 70 197.262 2 ↓
Lo Low (pH 4.5-6) -0.07 2.2 -121.42 4 5 2 71 198.27 2 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanamine N-methyl-1-[(3R)-1-[(4-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) 1.22 2.19 -48.47 2 5 1 59 225.316 4 ↓
Mid Mid (pH 6-8) 1.22 4.42 -116 3 5 2 60 226.324 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanamine N-methyl-1-[(3S)-1-[(4-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) 1.22 2.55 -51.08 2 5 1 59 225.316 4 ↓
Mid Mid (pH 6-8) 1.22 4.8 -118.49 3 5 2 60 226.324 4 ↓

Analogs

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Popular Name: (3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3S)-1-[(4-methyl-1,2,5-oxadiazo…

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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) -0.07 -0.43 -54.33 3 5 1 70 197.262 2 ↓
Lo Low (pH 4.5-6) -0.07 1.47 -45.76 3 5 1 69 197.262 2 ↓
Lo Low (pH 4.5-6) -0.07 1.79 -130.94 4 5 2 71 198.27 2 ↓

Analogs

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Popular Name: (3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3R)-1-[(4-methyl-1,2,5-oxadiazo…

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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) -0.07 -0.08 -56.97 3 5 1 70 197.262 2 ↓
Lo Low (pH 4.5-6) -0.07 1.85 -45.6 3 5 1 69 197.262 2 ↓
Lo Low (pH 4.5-6) -0.07 2.18 -133.33 4 5 2 71 198.27 2 ↓

Analogs

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Popular Name: [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]methanamine [1-[(4-methyl-1,2,5-oxadiazol-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) 0.24 2.57 -117.4 4 5 2 71 212.297 3 ↓
Hi High (pH 8-9.5) 0.24 0.33 -53.73 3 5 1 70 211.289 3 ↓

Analogs

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Popular Name: [(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanamine [(3R)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.24 0.32 -53.39 3 5 1 70 211.289 3 ↓
Mid Mid (pH 6-8) 0.24 2.54 -120.07 4 5 2 71 212.297 3 ↓

Analogs

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Popular Name: [(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanamine [(3S)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.24 0.67 -56.22 3 5 1 70 211.289 3 ↓
Mid Mid (pH 6-8) 0.24 2.93 -122.7 4 5 2 71 212.297 3 ↓

Analogs

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Popular Name: [(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine [(2R)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.36 1.35 -61.73 3 5 1 70 211.289 3 ↓
Mid Mid (pH 6-8) 0.36 3.18 -141.85 4 5 2 71 212.297 3 ↓

Analogs

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Popular Name: [(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine [(2S)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.36 0.84 -48.47 3 5 1 70 211.289 3 ↓
Mid Mid (pH 6-8) 0.36 2.77 -131.04 4 5 2 71 212.297 3 ↓

Analogs

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Popular Name: (3S)-N-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3S)-N-methyl-1-[(4-methyl-1,2,5…

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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) 0.84 1.27 -49.47 2 5 1 59 211.289 3 ↓
Hi High (pH 8-9.5) 0.84 2.22 -47.82 2 5 1 55 211.289 3 ↓
Hi High (pH 8-9.5) 0.84 0 -9.05 1 5 0 54 210.281 3 ↓

Analogs

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Popular Name: (3R)-N-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3R)-N-methyl-1-[(4-methyl-1,2,5…

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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) 0.84 1.62 -51.69 2 5 1 59 211.289 3 ↓
Hi High (pH 8-9.5) 0.84 0.38 -7.6 1 5 0 54 210.281 3 ↓
Hi High (pH 8-9.5) 0.84 2.64 -45.75 2 5 1 55 211.289 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]methanamine N-methyl-1-[1-[(4-methyl-1,2,5-o…

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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) 1.22 4.83 -112.87 3 5 2 60 226.324 4 ↓
Hi High (pH 8-9.5) 1.22 2.56 -48.14 2 5 1 59 225.316 4 ↓

Analogs

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Popular Name: N-methyl-1-[(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine N-methyl-1-[(2R)-1-[(4-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) 1.34 3.18 -55.49 2 5 1 59 225.316 4 ↓
Mid Mid (pH 6-8) 1.34 5.09 -133.85 3 5 2 60 226.324 4 ↓

Analogs

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Popular Name: N-methyl-1-[(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine N-methyl-1-[(2S)-1-[(4-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) 1.34 2.72 -43.76 2 5 1 59 225.316 4 ↓
Mid Mid (pH 6-8) 1.34 4.7 -125.17 3 5 2 60 226.324 4 ↓

Analogs

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Popular Name: (1R)-1-[(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]ethanamine (1R)-1-[(2R)-1-[(4-methyl-1,2,5-…

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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) 0.76 1.52 -59.78 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.76 3.38 -132.57 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: (1R)-1-[(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]ethanamine (1R)-1-[(2S)-1-[(4-methyl-1,2,5-…

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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) 0.76 1.33 -45.93 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.76 3.23 -128.07 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: (1R)-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]ethanamine (1R)-1-[1-[(4-methyl-1,2,5-oxadi…

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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) 0.64 3.12 -116.46 4 5 2 71 226.324 3 ↓
Hi High (pH 8-9.5) 0.64 0.88 -52.06 3 5 1 70 225.316 3 ↓

Analogs

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Popular Name: (1S)-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]ethanamine (1S)-1-[1-[(4-methyl-1,2,5-oxadi…

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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) 0.64 3.51 -112.8 4 5 2 71 226.324 3 ↓
Hi High (pH 8-9.5) 0.64 1.23 -48.23 3 5 1 70 225.316 3 ↓

Analogs

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Popular Name: (3S,4S)-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3S,4S)-4-methyl-1-[(4-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) 0.40 1.19 -54.09 3 5 1 70 211.289 2 ↓
Mid Mid (pH 6-8) 0.40 0.81 -8.13 2 5 0 68 210.281 2 ↓
Mid Mid (pH 6-8) 0.40 2.93 -48.39 3 5 1 69 211.289 2 ↓

Analogs

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Popular Name: (3S,4R)-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3S,4R)-4-methyl-1-[(4-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) 0.40 0.2 -54.3 3 5 1 70 211.289 2 ↓
Mid Mid (pH 6-8) 0.40 -0.09 -9.31 2 5 0 68 210.281 2 ↓
Mid Mid (pH 6-8) 0.40 2.13 -48.76 3 5 1 69 211.289 2 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]ethanamine 2-[(2R)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.63 1.24 -61.47 3 5 1 70 225.316 4 ↓
Mid Mid (pH 6-8) 0.63 3.4 -127.85 4 5 2 71 226.324 4 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]ethanamine 2-[(2S)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.63 1.38 -47.87 3 5 1 70 225.316 4 ↓
Mid Mid (pH 6-8) 0.63 2.99 -122.34 4 5 2 71 226.324 4 ↓

Analogs

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Popular Name: [(2R,6R)-6-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine [(2R,6R)-6-methyl-1-[(4-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) 0.69 1.41 -48.57 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.69 3.43 -37.94 3 5 1 69 225.316 3 ↓
Mid Mid (pH 6-8) 0.69 2.8 -116.16 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: [(2R,6S)-6-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine [(2R,6S)-6-methyl-1-[(4-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) 0.69 1.56 -62.07 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.69 2.99 -39.3 3 5 1 69 225.316 3 ↓
Mid Mid (pH 6-8) 0.69 3.35 -141.18 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: 2-[(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]ethanamine 2-[(3R)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.51 3.16 -112.58 4 5 2 71 226.324 4 ↓
Hi High (pH 8-9.5) 0.51 0.92 -52.42 3 5 1 70 225.316 4 ↓

Analogs

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Popular Name: 2-[(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]ethanamine 2-[(3S)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.51 3.55 -114.51 4 5 2 71 226.324 4 ↓
Hi High (pH 8-9.5) 0.51 1.28 -54.29 3 5 1 70 225.316 4 ↓

Analogs

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Popular Name: (1R)-1-[(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]ethanamine (1R)-1-[(3S)-1-[(4-methyl-1,2,5-…

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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) 0.64 0.85 -53.11 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.64 3.08 -127.78 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: (1R)-1-[(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]ethanamine (1R)-1-[(3R)-1-[(4-methyl-1,2,5-…

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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) 0.64 1.31 -55.4 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.64 3.58 -128.91 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: [(2R,3S)-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine [(2R,3S)-3-methyl-1-[(4-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) 0.60 1.42 -63.44 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.60 3.25 -138.24 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: [(2R,3R)-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanamine [(2R,3R)-3-methyl-1-[(4-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) 0.60 1.77 -61.89 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.60 3.63 -142.31 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: [(3S,6S)-6-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanamine [(3S,6S)-6-methyl-1-[(4-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) 0.57 0.62 -53.89 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.57 2.72 -115.56 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: [(3R,6S)-6-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanamine [(3R,6S)-6-methyl-1-[(4-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) 0.57 1.2 -46.89 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) 0.57 3.41 -110.03 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: 2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]ethanamine 2-[1-[(4-methyl-1,2,5-oxadiazol-…

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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) 0.69 3.57 -109.86 4 5 2 71 226.324 4 ↓
Hi High (pH 8-9.5) 0.69 1.31 -51.92 3 5 1 70 225.316 4 ↓

Analogs

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Popular Name: (3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol (3S)-1-[(4-methyl-1,2,5-oxadiazo…

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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) 0.42 1.2 -46.81 2 5 1 64 198.246 2 ↓
Hi High (pH 8-9.5) 0.42 -1.03 -9.86 1 5 0 62 197.238 2 ↓

Analogs

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Popular Name: (3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol (3R)-1-[(4-methyl-1,2,5-oxadiazo…

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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) 0.42 1.59 -46.78 2 5 1 64 198.246 2 ↓
Hi High (pH 8-9.5) 0.42 -0.67 -8.93 1 5 0 62 197.238 2 ↓

Analogs

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Popular Name: 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-ol 1-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) -0.31 1.21 -51.27 2 5 1 64 198.246 2 ↓
Hi High (pH 8-9.5) -0.31 -1 -12.05 1 5 0 62 197.238 2 ↓

Analogs

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Popular Name: [(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanol [(2R)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.92 2.25 -41.96 2 5 1 64 212.273 3 ↓
Hi High (pH 8-9.5) 0.92 0.02 -9.27 1 5 0 62 211.265 3 ↓

Analogs

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Popular Name: [(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]methanol [(2S)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.92 1.84 -45.51 2 5 1 64 212.273 3 ↓
Hi High (pH 8-9.5) 0.92 -0.38 -11.77 1 5 0 62 211.265 3 ↓

Analogs

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Popular Name: [(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanol [(3S)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.80 1.84 -50.75 2 5 1 64 212.273 3 ↓
Hi High (pH 8-9.5) 0.80 -0.38 -11.81 1 5 0 62 211.265 3 ↓

Analogs

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Popular Name: [(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-piperidyl]methanol [(3R)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.80 2.23 -50.37 2 5 1 64 212.273 3 ↓
Hi High (pH 8-9.5) 0.80 -0.02 -10.7 1 5 0 62 211.265 3 ↓

Analogs

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Popular Name: [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-piperidyl]methanol [1-[(4-methyl-1,2,5-oxadiazol-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) 0.80 1.87 -48.78 2 5 1 64 212.273 3 ↓
Hi High (pH 8-9.5) 0.80 -0.38 -10.23 1 5 0 62 211.265 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-piperidyl]ethanol 2-[(2R)-1-[(4-methyl-1,2,5-oxadi…

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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) 1.19 2.69 -44.05 2 5 1 64 226.3 4 ↓
Hi High (pH 8-9.5) 1.19 0.53 -8.73 1 5 0 62 225.292 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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