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Analogs

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Popular Name: N-[(3S)-1-[(2-methylthiazol-5-yl)methyl]-3-piperidyl]methanesulfonamide N-[(3S)-1-[(2-methylthiazol-5-yl…

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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) 0.18 0.02 -13.47 1 5 0 62 289.426 4 ↓
Mid Mid (pH 6-8) 0.18 2.26 -54.49 2 5 1 63 290.434 4 ↓

Analogs

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Popular Name: N-[(3R)-1-[(2-methylthiazol-5-yl)methyl]-3-piperidyl]methanesulfonamide N-[(3R)-1-[(2-methylthiazol-5-yl…

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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) 0.18 0.02 -13.83 1 5 0 62 289.426 4 ↓
Mid Mid (pH 6-8) 0.18 2.27 -49.67 2 5 1 63 290.434 4 ↓

Analogs

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Popular Name: 4-methyl-1-[(2-methylthiazol-5-yl)methyl]piperidine-4-carboxylic 4-methyl-1-[(2-methylthiazol-5-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) 0.89 7.1 -62.04 1 4 0 57 254.355 3 ↓
Hi High (pH 8-9.5) 0.89 4.87 -50.01 0 4 -1 56 253.347 3 ↓

Analogs

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Popular Name: 4-ethyl-1-[(2-methylthiazol-5-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(2-methylthiazol-5-yl…

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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 7.6 -61.51 1 4 0 57 268.382 4 ↓
Hi High (pH 8-9.5) 1.22 5.35 -49.52 0 4 -1 56 267.374 4 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-5-yl)methyl]-4-propyl-piperidine-4-carboxylic 1-[(2-methylthiazol-5-yl)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) 1.78 8.35 -61.85 1 4 0 57 282.409 5 ↓
Hi High (pH 8-9.5) 1.78 6.11 -50.02 0 4 -1 56 281.401 5 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(2-methylthiazol-5-yl)methyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(2-methylthiazo…

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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) 0.89 7.36 -48.4 1 4 0 57 254.355 3 ↓
Hi High (pH 8-9.5) 0.89 5.49 -46.38 0 4 -1 56 253.347 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(2-methylthiazol-5-yl)methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(2-methylthiazo…

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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) 0.89 7.27 -47.85 1 4 0 57 254.355 3 ↓
Hi High (pH 8-9.5) 0.89 5.41 -46.05 0 4 -1 56 253.347 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2-methylthiazol-5-yl)methyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(2-methylthiazol…

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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 7.9 -40.06 1 4 0 57 268.382 4 ↓
Hi High (pH 8-9.5) 1.22 6.31 -48.58 0 4 -1 56 267.374 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2-methylthiazol-5-yl)methyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(2-methylthiazol…

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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 7.8 -46.62 1 4 0 57 268.382 4 ↓
Hi High (pH 8-9.5) 1.22 5.93 -45.39 0 4 -1 56 267.374 4 ↓

Analogs

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Popular Name: (3S)-1-[(2-methylthiazol-5-yl)methyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(2-methylthiazol-5-yl)me…

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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) 1.78 8.54 -47.47 1 4 0 57 282.409 5 ↓
Hi High (pH 8-9.5) 1.78 6.69 -45.87 0 4 -1 56 281.401 5 ↓

Analogs

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Popular Name: (3R)-1-[(2-methylthiazol-5-yl)methyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(2-methylthiazol-5-yl)me…

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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) 1.78 8.56 -46.71 1 4 0 57 282.409 5 ↓
Hi High (pH 8-9.5) 1.78 6.7 -45.8 0 4 -1 56 281.401 5 ↓

Analogs

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

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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) 0.37 2.23 -3.87 2 3 0 42 225.361 2 ↓
Mid Mid (pH 6-8) 0.37 2.61 -41.91 3 3 1 44 226.369 2 ↓
Lo Low (pH 4.5-6) 0.37 4.34 -38 3 3 1 43 226.369 2 ↓

Analogs

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

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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) 0.37 1.62 -4.4 2 3 0 42 225.361 2 ↓
Mid Mid (pH 6-8) 0.37 1.92 -47.23 3 3 1 44 226.369 2 ↓
Lo Low (pH 4.5-6) 0.37 4.15 -119.38 4 3 2 45 227.377 2 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]ethanamine 2-[(2R)-1-[(2-methylthiazol-5-yl…

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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 2.63 -49.25 3 3 1 44 240.396 4 ↓
Lo Low (pH 4.5-6) 0.60 4.8 -111.17 4 3 2 45 241.404 4 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]ethanamine 2-[(2S)-1-[(2-methylthiazol-5-yl…

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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 3.07 -48.91 3 3 1 44 240.396 4 ↓
Lo Low (pH 4.5-6) 0.60 4.73 -111.48 4 3 2 45 241.404 4 ↓

Analogs

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Popular Name: [(2R,6R)-6-methyl-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]methanamine [(2R,6R)-6-methyl-1-[(2-methylth…

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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 2.75 -47.95 3 3 1 44 240.396 3 ↓
Lo Low (pH 4.5-6) 0.66 4.52 -123.5 4 3 2 45 241.404 3 ↓

Analogs

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Popular Name: [(2R,6S)-6-methyl-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]methanamine [(2R,6S)-6-methyl-1-[(2-methylth…

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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 2.97 -46.65 3 3 1 44 240.396 3 ↓
Lo Low (pH 4.5-6) 0.66 4.72 -122.63 4 3 2 45 241.404 3 ↓

Analogs

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

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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) 0.47 4.89 -100.93 4 3 2 45 241.404 4 ↓
Mid Mid (pH 6-8) 0.47 2.64 -47.22 3 3 1 44 240.396 4 ↓

Analogs

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Popular Name: 2-[(3S)-1-[(2-methylthiazol-5-yl)methyl]-3-piperidyl]ethanamine 2-[(3S)-1-[(2-methylthiazol-5-yl…

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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) 0.47 4.95 -101.26 4 3 2 45 241.404 4 ↓
Mid Mid (pH 6-8) 0.47 2.7 -47.18 3 3 1 44 240.396 4 ↓

Analogs

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Popular Name: [(2R,3S)-3-methyl-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]methanamine [(2R,3S)-3-methyl-1-[(2-methylth…

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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 2.82 -51.05 3 3 1 44 240.396 3 ↓
Lo Low (pH 4.5-6) 0.57 4.64 -121.79 4 3 2 45 241.404 3 ↓

Analogs

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Popular Name: [(2R,3R)-3-methyl-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]methanamine [(2R,3R)-3-methyl-1-[(2-methylth…

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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 3.18 -46.51 3 3 1 44 240.396 3 ↓
Lo Low (pH 4.5-6) 0.57 5 -124.14 4 3 2 45 241.404 3 ↓

Analogs

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Popular Name: [(3S,6S)-6-methyl-1-[(2-methylthiazol-5-yl)methyl]-3-piperidyl]methanamine [(3S,6S)-6-methyl-1-[(2-methylth…

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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) 0.53 2.31 -44.64 3 3 1 44 240.396 3 ↓
Lo Low (pH 4.5-6) 0.53 4.44 -101.91 4 3 2 45 241.404 3 ↓

Analogs

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Popular Name: [(3R,6S)-6-methyl-1-[(2-methylthiazol-5-yl)methyl]-3-piperidyl]methanamine [(3R,6S)-6-methyl-1-[(2-methylth…

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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) 0.53 2.63 -45.88 3 3 1 44 240.396 3 ↓
Lo Low (pH 4.5-6) 0.53 4.81 -103.49 4 3 2 45 241.404 3 ↓

Analogs

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Popular Name: 2-[1-[(2-methylthiazol-5-yl)methyl]-4-piperidyl]ethanamine 2-[1-[(2-methylthiazol-5-yl)meth…

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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 4.98 -98.25 4 3 2 45 241.404 4 ↓
Mid Mid (pH 6-8) 0.66 2.73 -46.61 3 3 1 44 240.396 4 ↓

Analogs

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Popular Name: 2-[1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(1R)-1-(2,4-dimethylthiazo…

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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) 2.42 7.9 -92.58 3 3 2 34 283.485 5 ↓
Mid Mid (pH 6-8) 2.42 5.67 -41.59 2 3 1 33 282.477 5 ↓

Analogs

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Popular Name: 2-[1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(1S)-1-(2,4-dimethylthiazo…

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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) 2.42 7.91 -92.35 3 3 2 34 283.485 5 ↓
Mid Mid (pH 6-8) 2.42 5.67 -41.58 2 3 1 33 282.477 5 ↓

Analogs

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Popular Name: N-methyl-2-[1-[(2-methylthiazol-5-yl)methyl]-4-piperidyl]ethanamine N-methyl-2-[1-[(2-methylthiazol-…

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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 6.86 -94.26 3 3 2 34 255.431 5 ↓
Mid Mid (pH 6-8) 1.64 4.6 -41.9 2 3 1 33 254.423 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(1R)-1-(2,4-dimethylt…

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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) 2.36 4.9 -41.35 2 3 1 33 282.477 5 ↓
Lo Low (pH 4.5-6) 2.36 6.95 -102.13 3 3 2 34 283.485 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(1S)-1-(2,4-dimethylt…

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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) 2.36 5.17 -46.45 2 3 1 33 282.477 5 ↓
Lo Low (pH 4.5-6) 2.36 7.28 -106.95 3 3 2 34 283.485 5 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-[(2-methylthi…

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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) 1.58 4.51 -44.41 2 3 1 33 254.423 5 ↓
Lo Low (pH 4.5-6) 1.58 6.68 -107.11 3 3 2 34 255.431 5 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-[(2-methylthiazol-5-yl)methyl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[(2-methylthi…

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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) 1.58 4.95 -44.08 2 3 1 33 254.423 5 ↓
Lo Low (pH 4.5-6) 1.58 6.6 -107.31 3 3 2 34 255.431 5 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]piperidin-4-amine 1-[(1R)-1-(2,4-dimethylthiazol-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) 0.67 2.4 -46.55 3 3 1 44 240.396 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]piperidin-4-amine 1-[(1S)-1-(2,4-dimethylthiazol-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) 0.67 2.41 -46.55 3 3 1 44 240.396 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-N-methyl-piperidin-4-amine 1-[(1R)-1-(2,4-dimethylthiazol-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) 1.58 4.12 -41.54 2 3 1 33 254.423 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-N-methyl-piperidin-4-amine 1-[(1S)-1-(2,4-dimethylthiazol-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) 1.58 4.11 -41.55 2 3 1 33 254.423 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-N-ethyl-piperidin-4-amine 1-[(1S)-1-(2,4-dimethylthiazol-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) 1.96 4.97 -40.37 2 3 1 33 268.45 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-N-ethyl-piperidin-4-amine 1-[(1R)-1-(2,4-dimethylthiazol-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) 1.96 4.97 -40.34 2 3 1 33 268.45 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-N-propyl-piperidin-4-amine 1-[(1S)-1-(2,4-dimethylthiazol-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) 2.46 5.72 -41.26 2 3 1 33 282.477 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-N-propyl-piperidin-4-amine 1-[(1R)-1-(2,4-dimethylthiazol-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) 2.46 5.73 -41.15 2 3 1 33 282.477 5 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-5-yl)methyl]piperidin-4-amine 1-[(2-methylthiazol-5-yl)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) -0.11 1.34 -45.63 3 3 1 44 212.342 2 ↓

Analogs

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Popular Name: N-methyl-1-[(2-methylthiazol-5-yl)methyl]piperidin-4-amine N-methyl-1-[(2-methylthiazol-5-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) 0.80 3.05 -40.61 2 3 1 33 226.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-1-[(2-methylthiazol-5-yl)methyl]piperidin-4-amine N-ethyl-1-[(2-methylthiazol-5-yl…

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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) 1.18 3.9 -39.52 2 3 1 33 240.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methylthiazol-5-yl)methyl]-N-propyl-piperidin-4-amine 1-[(2-methylthiazol-5-yl)methyl]…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 4.66 -40.32 2 3 1 33 254.423 5 ↓

Parameters Provided:

ring.id = 287533
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 = 287533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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