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Analogs

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Popular Name: (2R,5S)-5-imidazol-1-yl-2-methyl-piperidine (2R,5S)-5-imidazol-1-yl-2-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) 0.50 5.45 -98.78 3 3 2 36 167.256 1 ↓
Mid Mid (pH 6-8) 0.50 4.94 -42.66 2 3 1 34 166.248 1 ↓

Analogs

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Popular Name: (2S,5S)-5-imidazol-1-yl-2-methyl-piperidine (2S,5S)-5-imidazol-1-yl-2-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) 0.50 5.99 -94.38 3 3 2 36 167.256 1 ↓
Mid Mid (pH 6-8) 0.50 5.27 -45.84 2 3 1 34 166.248 1 ↓

Analogs

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Popular Name: (2R,5R)-5-imidazol-1-yl-2-methyl-piperidine (2R,5R)-5-imidazol-1-yl-2-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) 0.50 5.99 -94.42 3 3 2 36 167.256 1 ↓
Mid Mid (pH 6-8) 0.50 5.27 -45.82 2 3 1 34 166.248 1 ↓

Analogs

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Popular Name: (2S,5R)-5-imidazol-1-yl-2-methyl-piperidine (2S,5R)-5-imidazol-1-yl-2-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) 0.50 5.43 -98.77 3 3 2 36 167.256 1 ↓
Mid Mid (pH 6-8) 0.50 4.91 -42.62 2 3 1 34 166.248 1 ↓

Analogs

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Popular Name: (2S,5R)-2-methyl-5-(2-methylimidazol-1-yl)piperidine (2S,5R)-2-methyl-5-(2-methylimid…

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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) 0.59 5.56 -90.92 3 3 2 36 181.283 1 ↓
Hi High (pH 8-9.5) 0.59 5.08 -43.11 2 3 1 34 180.275 1 ↓

Analogs

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Popular Name: (2S,5S)-2-methyl-5-(2-methylimidazol-1-yl)piperidine (2S,5S)-2-methyl-5-(2-methylimid…

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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) 0.59 5.72 -90.98 3 3 2 36 181.283 1 ↓
Hi High (pH 8-9.5) 0.59 5.25 -46.72 2 3 1 34 180.275 1 ↓

Analogs

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Popular Name: (2R,5R)-2-methyl-5-(2-methylimidazol-1-yl)piperidine (2R,5R)-2-methyl-5-(2-methylimid…

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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) 0.59 5.72 -91.15 3 3 2 36 181.283 1 ↓
Hi High (pH 8-9.5) 0.59 5.25 -46.97 2 3 1 34 180.275 1 ↓

Analogs

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Popular Name: (2R,5S)-2-methyl-5-(2-methylimidazol-1-yl)piperidine (2R,5S)-2-methyl-5-(2-methylimid…

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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) 0.59 5.56 -90.81 3 3 2 36 181.283 1 ↓
Hi High (pH 8-9.5) 0.59 5.08 -42.95 2 3 1 34 180.275 1 ↓

Analogs

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Popular Name: (2S,5R)-5-(2-ethylimidazol-1-yl)-2-methyl-piperidine (2S,5R)-5-(2-ethylimidazol-1-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) 1.16 6.16 -90.86 3 3 2 36 195.31 2 ↓
Hi High (pH 8-9.5) 1.16 5.69 -43.27 2 3 1 34 194.302 2 ↓

Analogs

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Popular Name: (2S,5S)-5-(2-ethylimidazol-1-yl)-2-methyl-piperidine (2S,5S)-5-(2-ethylimidazol-1-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) 1.16 6.32 -91.29 3 3 2 36 195.31 2 ↓
Hi High (pH 8-9.5) 1.16 5.86 -47.07 2 3 1 34 194.302 2 ↓

Analogs

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Popular Name: (2R,5R)-5-(2-ethylimidazol-1-yl)-2-methyl-piperidine (2R,5R)-5-(2-ethylimidazol-1-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) 1.16 6.32 -90.85 3 3 2 36 195.31 2 ↓
Hi High (pH 8-9.5) 1.16 5.86 -47.12 2 3 1 34 194.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-(2-ethylimidazol-1-yl)-2-methyl-piperidine (2R,5S)-5-(2-ethylimidazol-1-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) 1.16 6.16 -91.31 3 3 2 36 195.31 2 ↓
Hi High (pH 8-9.5) 1.16 5.69 -43.14 2 3 1 34 194.302 2 ↓

Analogs

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Popular Name: (2S,5R)-5-(4,5-dimethylimidazol-1-yl)-2-methyl-piperidine (2S,5R)-5-(4,5-dimethylimidazol-…

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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) 0.94 6.11 -93.72 3 3 2 36 195.31 1 ↓
Hi High (pH 8-9.5) 0.94 5.64 -42.11 2 3 1 34 194.302 1 ↓

Analogs

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Popular Name: (2S,5S)-5-(4,5-dimethylimidazol-1-yl)-2-methyl-piperidine (2S,5S)-5-(4,5-dimethylimidazol-…

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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) 0.94 6.74 -94.39 3 3 2 36 195.31 1 ↓
Hi High (pH 8-9.5) 0.94 6.27 -46.33 2 3 1 34 194.302 1 ↓

Analogs

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Popular Name: (2R,5R)-5-(4,5-dimethylimidazol-1-yl)-2-methyl-piperidine (2R,5R)-5-(4,5-dimethylimidazol-…

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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) 0.94 6.74 -94.17 3 3 2 36 195.31 1 ↓
Hi High (pH 8-9.5) 0.94 6.27 -46.05 2 3 1 34 194.302 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-(4,5-dimethylimidazol-1-yl)-2-methyl-piperidine (2R,5S)-5-(4,5-dimethylimidazol-…

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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) 0.94 6.11 -93.83 3 3 2 36 195.31 1 ↓
Hi High (pH 8-9.5) 0.94 5.64 -42.25 2 3 1 34 194.302 1 ↓

Analogs

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Popular Name: 1-[(3S)-3-imidazol-1-yl-1-piperidyl]-3-methylsulfanyl-propan-1-one 1-[(3S)-3-imidazol-1-yl-1-piperi…

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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 8.51 -35.56 1 4 1 39 254.379 4 ↓
Mid Mid (pH 6-8) 0.53 7.81 -11.4 0 4 0 38 253.371 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-imidazol-1-yl-1-piperidyl]-3-methylsulfanyl-propan-1-one 1-[(3R)-3-imidazol-1-yl-1-piperi…

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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 8.54 -35.51 1 4 1 39 254.379 4 ↓
Mid Mid (pH 6-8) 0.53 7.83 -11.39 0 4 0 38 253.371 4 ↓

Analogs

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Popular Name: 1-[(3S)-3-imidazol-1-yl-1-piperidyl]-2-methylsulfanyl-ethanone 1-[(3S)-3-imidazol-1-yl-1-piperi…

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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) 0.26 7.76 -38.23 1 4 1 39 240.352 3 ↓
Mid Mid (pH 6-8) 0.26 7.05 -14.78 0 4 0 38 239.344 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-imidazol-1-yl-1-piperidyl]-2-methylsulfanyl-ethanone 1-[(3R)-3-imidazol-1-yl-1-piperi…

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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) 0.26 7.78 -38.18 1 4 1 39 240.352 3 ↓
Mid Mid (pH 6-8) 0.26 7.07 -14.88 0 4 0 38 239.344 3 ↓

Analogs

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Popular Name: N-[3-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-3-oxo-propyl]methanesulfonamide N-[3-[(3R)-3-(2-methylimidazol-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) -0.75 3.14 -41.68 2 7 1 86 315.419 5 ↓
Hi High (pH 8-9.5) -0.75 2.66 -21.3 1 7 0 84 314.411 5 ↓

Analogs

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Popular Name: N-[3-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-3-oxo-propyl]methanesulfonamide N-[3-[(3S)-3-(2-methylimidazol-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) -0.75 3.14 -42.68 2 7 1 86 315.419 5 ↓
Hi High (pH 8-9.5) -0.75 2.66 -21.53 1 7 0 84 314.411 5 ↓

Analogs

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Popular Name: N-[2-[(3S)-3-imidazol-1-yl-1-piperidyl]-2-oxo-ethyl]-N-methyl-methanesulfonamide N-[2-[(3S)-3-imidazol-1-yl-1-pip…

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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) -0.86 4.73 -47.58 1 7 1 77 301.392 4 ↓
Mid Mid (pH 6-8) -0.86 4.02 -26.05 0 7 0 76 300.384 4 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-imidazol-1-yl-1-piperidyl]-2-oxo-ethyl]-N-methyl-methanesulfonamide N-[2-[(3R)-3-imidazol-1-yl-1-pip…

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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) -0.86 4.75 -45.93 1 7 1 77 301.392 4 ↓
Mid Mid (pH 6-8) -0.86 4.04 -25.84 0 7 0 76 300.384 4 ↓

Analogs

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Popular Name: 2-isopropylsulfonyl-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethanone 2-isopropylsulfonyl-1-[(3R)-3-(2…

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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) -0.04 5.61 -48.2 1 6 1 74 314.431 4 ↓
Mid Mid (pH 6-8) -0.04 5.13 -29.09 0 6 0 72 313.423 4 ↓

Analogs

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Popular Name: 2-isopropylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethanone 2-isopropylsulfonyl-1-[(3S)-3-(2…

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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) -0.04 5.61 -48.18 1 6 1 74 314.431 4 ↓
Mid Mid (pH 6-8) -0.04 5.13 -29.14 0 6 0 72 313.423 4 ↓

Analogs

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Popular Name: (2S)-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-2-propylsulfonyl-propan-1-one (2S)-1-[(3S)-3-(2-methylimidazol…

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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) 0.46 6.39 -47.68 1 6 1 74 328.458 5 ↓
Mid Mid (pH 6-8) 0.46 5.92 -28.65 0 6 0 72 327.45 5 ↓

Analogs

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Popular Name: (2R)-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-2-propylsulfonyl-propan-1-one (2R)-1-[(3S)-3-(2-methylimidazol…

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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) 0.46 6.66 -57.2 1 6 1 74 328.458 5 ↓
Mid Mid (pH 6-8) 0.46 6.18 -24.32 0 6 0 72 327.45 5 ↓

Analogs

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Popular Name: (2S)-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-2-propylsulfonyl-propan-1-one (2S)-1-[(3R)-3-(2-methylimidazol…

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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) 0.46 6.41 -47.03 1 6 1 74 328.458 5 ↓
Mid Mid (pH 6-8) 0.46 5.94 -28.44 0 6 0 72 327.45 5 ↓

Analogs

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Popular Name: (2R)-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-2-propylsulfonyl-propan-1-one (2R)-1-[(3R)-3-(2-methylimidazol…

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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) 0.46 6.69 -47.4 1 6 1 74 328.458 5 ↓
Mid Mid (pH 6-8) 0.46 6.22 -28.16 0 6 0 72 327.45 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-imidazol-1-yl-1-piperidyl]-2-[isopropyl(methyl)amino]ethanone 1-[(3S)-3-imidazol-1-yl-1-piperi…

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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) 0.44 9.16 -79.77 2 5 2 44 266.389 4 ↓
Hi High (pH 8-9.5) 0.44 6.22 -12.22 0 5 0 41 264.373 4 ↓
Mid Mid (pH 6-8) 0.44 8.44 -43.38 1 5 1 43 265.381 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-imidazol-1-yl-1-piperidyl]-2-[isopropyl(methyl)amino]ethanone 1-[(3R)-3-imidazol-1-yl-1-piperi…

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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) 0.44 9.18 -80.02 2 5 2 44 266.389 4 ↓
Hi High (pH 8-9.5) 0.44 6.25 -12.24 0 5 0 41 264.373 4 ↓
Mid Mid (pH 6-8) 0.44 8.46 -43.43 1 5 1 43 265.381 4 ↓

Analogs

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Popular Name: 1-[(3S)-3-(2-ethylimidazol-1-yl)-1-piperidyl]-2-propylsulfonyl-ethanone 1-[(3S)-3-(2-ethylimidazol-1-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) 0.67 6.39 -47.86 1 6 1 74 328.458 6 ↓
Mid Mid (pH 6-8) 0.67 5.92 -29.28 0 6 0 72 327.45 6 ↓

Analogs

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Popular Name: 1-[(3R)-3-(2-ethylimidazol-1-yl)-1-piperidyl]-2-propylsulfonyl-ethanone 1-[(3R)-3-(2-ethylimidazol-1-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) 0.67 6.4 -48.31 1 6 1 74 328.458 6 ↓
Mid Mid (pH 6-8) 0.67 5.94 -29.29 0 6 0 72 327.45 6 ↓

Analogs

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Popular Name: (2S)-1-[(3S)-3-imidazol-1-yl-1-piperidyl]-2-methylsulfanyl-propan-1-one (2S)-1-[(3S)-3-imidazol-1-yl-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) 0.62 8.15 -38.46 1 4 1 39 254.379 3 ↓
Mid Mid (pH 6-8) 0.62 7.44 -14.75 0 4 0 38 253.371 3 ↓

Analogs

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Popular Name: (2R)-1-[(3S)-3-imidazol-1-yl-1-piperidyl]-2-methylsulfanyl-propan-1-one (2R)-1-[(3S)-3-imidazol-1-yl-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) 0.62 8.18 -45.89 1 4 1 39 254.379 3 ↓
Mid Mid (pH 6-8) 0.62 7.47 -12.4 0 4 0 38 253.371 3 ↓

Analogs

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Popular Name: (2S)-1-[(3R)-3-imidazol-1-yl-1-piperidyl]-2-methylsulfanyl-propan-1-one (2S)-1-[(3R)-3-imidazol-1-yl-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) 0.62 8.17 -38.06 1 4 1 39 254.379 3 ↓
Mid Mid (pH 6-8) 0.62 7.47 -14.74 0 4 0 38 253.371 3 ↓

Analogs

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Popular Name: (2R)-1-[(3R)-3-imidazol-1-yl-1-piperidyl]-2-methylsulfanyl-propan-1-one (2R)-1-[(3R)-3-imidazol-1-yl-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) 0.62 8.22 -38.45 1 4 1 39 254.379 3 ↓
Mid Mid (pH 6-8) 0.62 7.51 -14.69 0 4 0 38 253.371 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-(2-ethylimidazol-1-yl)-1-piperidyl]-2-ethylsulfonyl-ethanone 1-[(3R)-3-(2-ethylimidazol-1-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) 0.17 5.6 -48.45 1 6 1 74 314.431 5 ↓
Mid Mid (pH 6-8) 0.17 5.13 -29.54 0 6 0 72 313.423 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-(2-ethylimidazol-1-yl)-1-piperidyl]-2-ethylsulfonyl-ethanone 1-[(3S)-3-(2-ethylimidazol-1-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) 0.17 5.6 -48.03 1 6 1 74 314.431 5 ↓
Mid Mid (pH 6-8) 0.17 5.13 -29.49 0 6 0 72 313.423 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-3-(2,2,2-trifluoroethoxy)propan-1-one 1-[(3R)-3-(2-methylimidazol-1-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) 1.00 7.52 -34.37 1 5 1 49 320.335 6 ↓
Mid Mid (pH 6-8) 1.00 7.05 -13.1 0 5 0 47 319.327 6 ↓

Analogs

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Popular Name: 1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-3-(2,2,2-trifluoroethoxy)propan-1-one 1-[(3S)-3-(2-methylimidazol-1-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) 1.00 7.52 -34.33 1 5 1 49 320.335 6 ↓
Mid Mid (pH 6-8) 1.00 7.05 -13.19 0 5 0 47 319.327 6 ↓

Analogs

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Popular Name: 1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[(3R)-3-(2-methylimidazol-1-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) 0.73 7.82 -39.93 1 5 1 49 306.308 5 ↓
Mid Mid (pH 6-8) 0.73 7.34 -20.2 0 5 0 47 305.3 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[(3S)-3-(2-methylimidazol-1-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) 0.73 7.82 -39.94 1 5 1 49 306.308 5 ↓
Mid Mid (pH 6-8) 0.73 7.34 -20.33 0 5 0 47 305.3 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-imidazol-1-yl-1-piperidyl]-2-isopropylsulfonyl-ethanone 1-[(3S)-3-imidazol-1-yl-1-piperi…

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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) -0.12 5.87 -51.01 1 6 1 74 300.404 4 ↓
Mid Mid (pH 6-8) -0.12 5.14 -28.61 0 6 0 72 299.396 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-imidazol-1-yl-1-piperidyl]-2-isopropylsulfonyl-ethanone 1-[(3R)-3-imidazol-1-yl-1-piperi…

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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) -0.12 5.89 -50.96 1 6 1 74 300.404 4 ↓
Mid Mid (pH 6-8) -0.12 5.17 -28.64 0 6 0 72 299.396 4 ↓

Analogs

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Popular Name: (3R)-3-(2-propylimidazol-1-yl)piperidine (3R)-3-(2-propylimidazol-1-yl)pi…

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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 6.4 -92.64 3 3 2 36 195.31 3 ↓
Mid Mid (pH 6-8) 0.98 5.94 -49.56 2 3 1 34 194.302 3 ↓

Analogs

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Popular Name: (3S)-3-(2-propylimidazol-1-yl)piperidine (3S)-3-(2-propylimidazol-1-yl)pi…

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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 6.4 -92.88 3 3 2 36 195.31 3 ↓
Mid Mid (pH 6-8) 0.98 5.94 -49.58 2 3 1 34 194.302 3 ↓

Analogs

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Popular Name: (2S,5R)-2-methyl-5-(2-propylimidazol-1-yl)piperidine (2S,5R)-2-methyl-5-(2-propylimid…

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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) 1.66 6.94 -92.18 3 3 2 36 209.337 3 ↓
Hi High (pH 8-9.5) 1.66 6.47 -43.31 2 3 1 34 208.329 3 ↓

Analogs

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Popular Name: (2S,5S)-2-methyl-5-(2-propylimidazol-1-yl)piperidine (2S,5S)-2-methyl-5-(2-propylimid…

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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) 1.66 7.1 -92.25 3 3 2 36 209.337 3 ↓
Hi High (pH 8-9.5) 1.66 6.64 -47.26 2 3 1 34 208.329 3 ↓

Parameters Provided:

ring.id = 316370
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 = 316370 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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