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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-1H-benzimidazole 2-[(3S)-3-ethyl-3-piperidyl]-1H-…

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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) 2.29 5.83 -42.45 3 3 1 45 230.335 2 ↓
Lo Low (pH 4.5-6) 2.29 5.7 -94.22 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-1H-benzimidazole 2-[(3R)-3-ethyl-3-piperidyl]-1H-…

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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) 2.29 5.36 -42.55 3 3 1 45 230.335 2 ↓
Lo Low (pH 4.5-6) 2.29 5.71 -94.18 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-propyl-3-piperidyl]-1H-benzimidazole 2-[(3S)-3-propyl-3-piperidyl]-1H…

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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) 2.85 6.59 -42.82 3 3 1 45 244.362 3 ↓
Lo Low (pH 4.5-6) 2.85 6.46 -95.91 4 3 2 47 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-propyl-3-piperidyl]-1H-benzimidazole 2-[(3R)-3-propyl-3-piperidyl]-1H…

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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) 2.85 6.12 -43.04 3 3 1 45 244.362 3 ↓
Lo Low (pH 4.5-6) 2.85 6.47 -95.99 4 3 2 47 245.37 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-methyl-3-piperidyl]-1H-benzimidazole 5-chloro-2-[(3S)-3-methyl-3-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) 2.62 5.66 -42.9 3 3 1 45 250.753 1 ↓
Lo Low (pH 4.5-6) 2.62 5.97 -99.34 4 3 2 47 251.761 1 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-methyl-3-piperidyl]-1H-benzimidazole 5-chloro-2-[(3R)-3-methyl-3-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) 2.62 5.68 -43.14 3 3 1 45 250.753 1 ↓
Lo Low (pH 4.5-6) 2.62 5.97 -99.31 4 3 2 47 251.761 1 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-ethyl-3-piperidyl]-1H-benzimidazole 5-chloro-2-[(3S)-3-ethyl-3-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) 2.94 6.34 -43.4 3 3 1 45 264.78 2 ↓
Lo Low (pH 4.5-6) 2.94 6.19 -99.05 4 3 2 47 265.788 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-ethyl-3-piperidyl]-1H-benzimidazole 5-chloro-2-[(3R)-3-ethyl-3-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) 2.94 5.88 -43.55 3 3 1 45 264.78 2 ↓
Lo Low (pH 4.5-6) 2.94 6.19 -99.1 4 3 2 47 265.788 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-propyl-3-piperidyl]-1H-benzimidazole 5-chloro-2-[(3S)-3-propyl-3-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) 3.50 7.1 -43.86 3 3 1 45 278.807 3 ↓
Lo Low (pH 4.5-6) 3.50 6.95 -100.91 4 3 2 47 279.815 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(3R)-3-propyl-3-piperidyl]-1H-benzimidazole 5-chloro-2-[(3R)-3-propyl-3-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) 3.50 6.64 -44.02 3 3 1 45 278.807 3 ↓
Lo Low (pH 4.5-6) 3.50 6.95 -100.96 4 3 2 47 279.815 3 ↓

Analogs

12484693
12484693

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-2-[(3S)-3-methyl-3-piperidyl]benzimidazole 1-methyl-2-[(3S)-3-methyl-3-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) 2.04 6.39 -42.95 2 3 1 34 230.335 1 ↓
Lo Low (pH 4.5-6) 2.04 6.81 -92.68 3 3 2 36 231.343 1 ↓

Analogs

12484693
12484693

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Popular Name: 1-methyl-2-[(3R)-3-methyl-3-piperidyl]benzimidazole 1-methyl-2-[(3R)-3-methyl-3-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) 2.04 6.41 -42.85 2 3 1 34 230.335 1 ↓
Lo Low (pH 4.5-6) 2.04 6.8 -92.61 3 3 2 36 231.343 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-1-methyl-benzimidazole 2-[(3S)-3-ethyl-3-piperidyl]-1-m…

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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 6.56 -51.28 2 3 1 34 244.362 2 ↓
Lo Low (pH 4.5-6) 2.36 7.44 -93.26 3 3 2 36 245.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-1-methyl-benzimidazole 2-[(3R)-3-ethyl-3-piperidyl]-1-m…

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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 6.56 -50.69 2 3 1 34 244.362 2 ↓
Lo Low (pH 4.5-6) 2.36 7.52 -92.89 3 3 2 36 245.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-2-[(3S)-3-propyl-3-piperidyl]benzimidazole 1-methyl-2-[(3S)-3-propyl-3-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) 2.92 7.33 -51.55 2 3 1 34 258.389 3 ↓
Lo Low (pH 4.5-6) 2.92 8.2 -94.47 3 3 2 36 259.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-2-[(3R)-3-propyl-3-piperidyl]benzimidazole 1-methyl-2-[(3R)-3-propyl-3-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) 2.92 7.32 -50.95 2 3 1 34 258.389 3 ↓
Lo Low (pH 4.5-6) 2.92 8.28 -94.05 3 3 2 36 259.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(3R)-3-methyl-3-piperidyl]benzimidazole 1-ethyl-2-[(3R)-3-methyl-3-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) 2.41 7.15 -42.93 2 3 1 34 244.362 2 ↓
Lo Low (pH 4.5-6) 2.41 7.55 -93.14 3 3 2 36 245.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(3S)-3-methyl-3-piperidyl]benzimidazole 1-ethyl-2-[(3S)-3-methyl-3-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) 2.41 7.19 -43 2 3 1 34 244.362 2 ↓
Lo Low (pH 4.5-6) 2.41 7.58 -93.15 3 3 2 36 245.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(3S)-3-ethyl-3-piperidyl]benzimidazole 1-ethyl-2-[(3S)-3-ethyl-3-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) 2.73 7.3 -50.64 2 3 1 34 258.389 3 ↓
Mid Mid (pH 6-8) 2.73 8.19 -93.06 3 3 2 36 259.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(3R)-3-ethyl-3-piperidyl]benzimidazole 1-ethyl-2-[(3R)-3-ethyl-3-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) 2.73 7.25 -50.47 2 3 1 34 258.389 3 ↓
Mid Mid (pH 6-8) 2.73 8.27 -91.76 3 3 2 36 259.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(3S)-3-propyl-3-piperidyl]benzimidazole 1-ethyl-2-[(3S)-3-propyl-3-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) 3.29 8.07 -50.93 2 3 1 34 272.416 4 ↓
Mid Mid (pH 6-8) 3.29 8.96 -94.19 3 3 2 36 273.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(3R)-3-propyl-3-piperidyl]benzimidazole 1-ethyl-2-[(3R)-3-propyl-3-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) 3.29 7.88 -50.79 2 3 1 34 272.416 4 ↓
Mid Mid (pH 6-8) 3.29 9.02 -92.83 3 3 2 36 273.424 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-methyl-3-piperidyl]-1-propyl-benzimidazole 2-[(3R)-3-methyl-3-piperidyl]-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) 2.91 7.9 -42.82 2 3 1 34 258.389 3 ↓
Lo Low (pH 4.5-6) 2.91 8.29 -93.71 3 3 2 36 259.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-methyl-3-piperidyl]-1-propyl-benzimidazole 2-[(3S)-3-methyl-3-piperidyl]-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) 2.91 7.93 -42.89 2 3 1 34 258.389 3 ↓
Lo Low (pH 4.5-6) 2.91 8.32 -93.73 3 3 2 36 259.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-1-propyl-benzimidazole 2-[(3R)-3-ethyl-3-piperidyl]-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) 3.24 8.02 -50.39 2 3 1 34 272.416 4 ↓
Lo Low (pH 4.5-6) 3.24 8.46 -93.67 3 3 2 36 273.424 4 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-1-propyl-benzimidazole 2-[(3S)-3-ethyl-3-piperidyl]-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) 3.24 8.03 -50.48 2 3 1 34 272.416 4 ↓
Lo Low (pH 4.5-6) 3.24 8.4 -93.6 3 3 2 36 273.424 4 ↓

Analogs

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Popular Name: 1-propyl-2-[(3S)-3-propyl-3-piperidyl]benzimidazole 1-propyl-2-[(3S)-3-propyl-3-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) 3.80 8.9 -50.59 2 3 1 34 286.443 5 ↓
Lo Low (pH 4.5-6) 3.80 9.75 -92.93 3 3 2 36 287.451 5 ↓

Analogs

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Popular Name: 1-propyl-2-[(3R)-3-propyl-3-piperidyl]benzimidazole 1-propyl-2-[(3R)-3-propyl-3-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) 3.80 8.63 -50.77 2 3 1 34 286.443 5 ↓
Lo Low (pH 4.5-6) 3.80 9.67 -92.41 3 3 2 36 287.451 5 ↓

Analogs

12484710
12484710

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Popular Name: 1-isopropyl-2-[(3R)-3-methyl-3-piperidyl]benzimidazole 1-isopropyl-2-[(3R)-3-methyl-3-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) 2.77 7.57 -42.75 2 3 1 34 258.389 2 ↓
Lo Low (pH 4.5-6) 2.77 7.94 -93.07 3 3 2 36 259.397 2 ↓

Analogs

12484710
12484710

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-2-[(3S)-3-methyl-3-piperidyl]benzimidazole 1-isopropyl-2-[(3S)-3-methyl-3-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) 2.77 7.57 -42.77 2 3 1 34 258.389 2 ↓
Lo Low (pH 4.5-6) 2.77 7.97 -93.12 3 3 2 36 259.397 2 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-1-isopropyl-benzimidazole 2-[(3S)-3-ethyl-3-piperidyl]-1-i…

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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) 3.10 7.76 -50.22 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.10 8.67 -92.05 3 3 2 36 273.424 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-1-isopropyl-benzimidazole 2-[(3R)-3-ethyl-3-piperidyl]-1-i…

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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) 3.10 7.78 -50.23 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.10 8.63 -90.51 3 3 2 36 273.424 3 ↓

Analogs

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Popular Name: 1-isopropyl-2-[(3S)-3-propyl-3-piperidyl]benzimidazole 1-isopropyl-2-[(3S)-3-propyl-3-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) 3.66 8.51 -50.52 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 3.66 9.44 -93.16 3 3 2 36 287.451 4 ↓

Analogs

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Popular Name: 1-isopropyl-2-[(3R)-3-propyl-3-piperidyl]benzimidazole 1-isopropyl-2-[(3R)-3-propyl-3-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) 3.66 8.53 -50.5 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 3.66 9.4 -91.81 3 3 2 36 287.451 4 ↓

Analogs

12484710
12484710

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Popular Name: 1-tert-butyl-2-[(3S)-3-methyl-3-piperidyl]benzimidazole 1-tert-butyl-2-[(3S)-3-methyl-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) 3.22 7.42 -43.6 2 3 1 34 272.416 2 ↓
Mid Mid (pH 6-8) 3.22 7.87 -93.3 3 3 2 36 273.424 2 ↓

Analogs

12484710
12484710

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(3R)-3-methyl-3-piperidyl]benzimidazole 1-tert-butyl-2-[(3R)-3-methyl-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) 3.22 7.29 -43.81 2 3 1 34 272.416 2 ↓
Mid Mid (pH 6-8) 3.22 7.9 -94.21 3 3 2 36 273.424 2 ↓

Analogs

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Popular Name: 1-tert-butyl-2-[(3S)-3-ethyl-3-piperidyl]benzimidazole 1-tert-butyl-2-[(3S)-3-ethyl-3-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) 3.54 7.85 -51.55 2 3 1 34 286.443 3 ↓
Mid Mid (pH 6-8) 3.54 8.28 -92.12 3 3 2 36 287.451 3 ↓

Analogs

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Popular Name: 1-tert-butyl-2-[(3R)-3-ethyl-3-piperidyl]benzimidazole 1-tert-butyl-2-[(3R)-3-ethyl-3-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) 3.54 7.66 -49.85 2 3 1 34 286.443 3 ↓
Mid Mid (pH 6-8) 3.54 8.39 -90.59 3 3 2 36 287.451 3 ↓

Analogs

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Popular Name: 6-methyl-2-[(3R)-3-methyl-3-piperidyl]-1H-benzimidazole 6-methyl-2-[(3R)-3-methyl-3-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) 2.39 5.83 -42.09 3 3 1 45 230.335 1 ↓
Lo Low (pH 4.5-6) 2.39 6.12 -95.11 4 3 2 47 231.343 1 ↓

Analogs

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Popular Name: 6-methyl-2-[(3S)-3-methyl-3-piperidyl]-1H-benzimidazole 6-methyl-2-[(3S)-3-methyl-3-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) 2.39 5.81 -41.91 3 3 1 45 230.335 1 ↓
Lo Low (pH 4.5-6) 2.39 6.12 -95.08 4 3 2 47 231.343 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-6-methyl-1H-benzimidazole 2-[(3S)-3-ethyl-3-piperidyl]-6-m…

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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) 2.71 6.5 -42.43 3 3 1 45 244.362 2 ↓
Lo Low (pH 4.5-6) 2.71 6.34 -95.55 4 3 2 47 245.37 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-6-methyl-1H-benzimidazole 2-[(3R)-3-ethyl-3-piperidyl]-6-m…

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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) 2.71 6.02 -42.52 3 3 1 45 244.362 2 ↓
Lo Low (pH 4.5-6) 2.71 6.35 -95.39 4 3 2 47 245.37 2 ↓

Analogs

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Popular Name: 6-methyl-2-[(3S)-3-propyl-3-piperidyl]-1H-benzimidazole 6-methyl-2-[(3S)-3-propyl-3-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) 3.27 7.25 -42.8 3 3 1 45 258.389 3 ↓
Lo Low (pH 4.5-6) 3.27 7.1 -96.86 4 3 2 47 259.397 3 ↓

Analogs

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Popular Name: 6-methyl-2-[(3R)-3-propyl-3-piperidyl]-1H-benzimidazole 6-methyl-2-[(3R)-3-propyl-3-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) 3.27 6.79 -43.02 3 3 1 45 258.389 3 ↓
Lo Low (pH 4.5-6) 3.27 7.12 -96.7 4 3 2 47 259.397 3 ↓

Analogs

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Popular Name: 5,6-difluoro-2-[(3S)-3-methyl-3-piperidyl]-1H-benzimidazole 5,6-difluoro-2-[(3S)-3-methyl-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) 2.20 5.26 -45.31 3 3 1 45 252.288 1 ↓

Analogs

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Popular Name: 5,6-difluoro-2-[(3R)-3-methyl-3-piperidyl]-1H-benzimidazole 5,6-difluoro-2-[(3R)-3-methyl-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) 2.20 5.29 -45.51 3 3 1 45 252.288 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-5,6-difluoro-1H-benzimidazole 2-[(3S)-3-ethyl-3-piperidyl]-5,6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 5.96 -45.82 3 3 1 45 266.315 2 ↓
Lo Low (pH 4.5-6) 2.52 5.8 -104.93 4 3 2 47 267.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-5,6-difluoro-1H-benzimidazole 2-[(3R)-3-ethyl-3-piperidyl]-5,6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 5.48 -45.89 3 3 1 45 266.315 2 ↓
Lo Low (pH 4.5-6) 2.52 5.8 -104.96 4 3 2 47 267.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-difluoro-2-[(3S)-3-propyl-3-piperidyl]-1H-benzimidazole 5,6-difluoro-2-[(3S)-3-propyl-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) 3.08 6.7 -46.33 3 3 1 45 280.342 3 ↓
Lo Low (pH 4.5-6) 3.08 6.56 -106.87 4 3 2 47 281.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-difluoro-2-[(3R)-3-propyl-3-piperidyl]-1H-benzimidazole 5,6-difluoro-2-[(3R)-3-propyl-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) 3.08 6.25 -46.55 3 3 1 45 280.342 3 ↓
Lo Low (pH 4.5-6) 3.08 6.57 -106.95 4 3 2 47 281.35 3 ↓

Parameters Provided:

ring.id = 114755
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 = 114755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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