UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[4-(1H-benzoimidazol-2-yl)-1-piperidyl]-2-ethyl-butan-1-one 1-[4-(1H-benzoimidazol-2-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) 3.39 8.28 -13.39 1 4 0 49 299.418 4 ↓

Analogs

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Popular Name: 2-(4-piperidyl)-1H-benzimidazol-5-amine 2-(4-piperidyl)-1H-benzimidazol-…

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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) 0.39 2.6 -49 5 4 1 71 217.296 1 ↓
Lo Low (pH 4.5-6) 0.39 3.06 -92.64 6 4 2 73 218.304 1 ↓

Analogs

39261922
39261922
39261924
39261924

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Popular Name: 1-[4-(1-methylbenzimidazol-2-yl)-1-piperidyl]ethanone 1-[4-(1-methylbenzimidazol-2-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) 1.37 7.34 -16.13 0 4 0 38 257.337 1 ↓
Mid Mid (pH 6-8) 1.37 7.93 -35.4 1 4 1 39 258.345 1 ↓

Analogs

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Popular Name: 2-(1-butylsulfonyl-4-piperidyl)-1H-benzimidazole 2-(1-butylsulfonyl-4-piperidyl)-…

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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) 2.75 6.02 -14.53 1 5 0 66 321.446 5 ↓
Lo Low (pH 4.5-6) 2.75 6.51 -37.13 2 5 1 67 322.454 5 ↓

Analogs

8992831
8992831

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 8.5 -12.1 2 7 0 87 372.469 6 ↓

Analogs

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Popular Name: 2-(4-methyl-4-piperidyl)-1H-benzimidazole 2-(4-methyl-4-piperidyl)-1H-benz…

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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) 1.97 5.01 -46.28 3 3 1 45 216.308 1 ↓
Lo Low (pH 4.5-6) 1.97 5.37 -91.39 4 3 2 47 217.316 1 ↓

Analogs

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Popular Name: 5-chloro-2-(4-methyl-4-piperidyl)-1H-benzimidazole 5-chloro-2-(4-methyl-4-piperidyl…

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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 5.52 -47.05 3 3 1 45 250.753 1 ↓
Lo Low (pH 4.5-6) 2.62 5.84 -95.93 4 3 2 47 251.761 1 ↓

Analogs

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Popular Name: 1-methyl-2-(4-methyl-4-piperidyl)benzimidazole 1-methyl-2-(4-methyl-4-piperidyl…

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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 6.25 -48.25 2 3 1 34 230.335 1 ↓
Lo Low (pH 4.5-6) 2.04 6.64 -91.58 3 3 2 36 231.343 1 ↓

Analogs

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Popular Name: 1-ethyl-2-(4-methyl-4-piperidyl)benzimidazole 1-ethyl-2-(4-methyl-4-piperidyl)…

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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 6.99 -48.82 2 3 1 34 244.362 2 ↓
Lo Low (pH 4.5-6) 2.41 7.39 -90.65 3 3 2 36 245.37 2 ↓

Analogs

34962093
34962093

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Popular Name: 2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 2-(4-methyl-4-piperidyl)-1-propy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 7.75 -48.7 2 3 1 34 258.389 3 ↓
Lo Low (pH 4.5-6) 2.91 8.13 -91.16 3 3 2 36 259.397 3 ↓

Analogs

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Popular Name: 1-isopropyl-2-(4-methyl-4-piperidyl)benzimidazole 1-isopropyl-2-(4-methyl-4-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) 2.77 7.44 -48.27 2 3 1 34 258.389 2 ↓
Lo Low (pH 4.5-6) 2.77 7.83 -90.62 3 3 2 36 259.397 2 ↓

Analogs

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Popular Name: 1-tert-butyl-2-(4-methyl-4-piperidyl)benzimidazole 1-tert-butyl-2-(4-methyl-4-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) 3.22 7.32 -50.33 2 3 1 34 272.416 2 ↓
Lo Low (pH 4.5-6) 3.22 7.83 -91.3 3 3 2 36 273.424 2 ↓

Analogs

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Popular Name: 6-methyl-2-(4-methyl-4-piperidyl)-1H-benzimidazole 6-methyl-2-(4-methyl-4-piperidyl…

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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 5.68 -46.15 3 3 1 45 230.335 1 ↓
Lo Low (pH 4.5-6) 2.39 5.99 -91.86 4 3 2 47 231.343 1 ↓

Analogs

11567870
11567870

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Popular Name: 5,6-difluoro-2-(4-methyl-4-piperidyl)-1H-benzimidazole 5,6-difluoro-2-(4-methyl-4-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) 2.20 5.09 -49.96 3 3 1 45 252.288 1 ↓

Analogs

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Popular Name: 1,5-dimethyl-2-(4-methyl-4-piperidyl)benzimidazole 1,5-dimethyl-2-(4-methyl-4-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) 2.46 6.92 -48.34 2 3 1 34 244.362 1 ↓
Mid Mid (pH 6-8) 2.46 7.29 -91.04 3 3 2 36 245.37 1 ↓

Analogs

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Popular Name: 1-ethyl-5-methyl-2-(4-methyl-4-piperidyl)benzimidazole 1-ethyl-5-methyl-2-(4-methyl-4-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) 2.84 7.67 -48.86 2 3 1 34 258.389 2 ↓
Mid Mid (pH 6-8) 2.84 8.06 -90.79 3 3 2 36 259.397 2 ↓

Analogs

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Popular Name: 5-methyl-2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 5-methyl-2-(4-methyl-4-piperidyl…

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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) 3.34 8.42 -48.83 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.34 8.81 -91.31 3 3 2 36 273.424 3 ↓

Analogs

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Popular Name: 1-isopropyl-5-methyl-2-(4-methyl-4-piperidyl)benzimidazole 1-isopropyl-5-methyl-2-(4-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) 3.20 8.11 -48.33 2 3 1 34 272.416 2 ↓
Mid Mid (pH 6-8) 3.20 8.49 -90.7 3 3 2 36 273.424 2 ↓

Analogs

11567870
11567870

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Popular Name: 5-fluoro-2-(4-methyl-4-piperidyl)-1H-benzimidazole 5-fluoro-2-(4-methyl-4-piperidyl…

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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) 2.11 5.09 -46.82 3 3 1 45 234.298 1 ↓
Lo Low (pH 4.5-6) 2.11 5.39 -96.62 4 3 2 47 235.306 1 ↓

Analogs

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Popular Name: 5-fluoro-1-methyl-2-(4-methyl-4-piperidyl)benzimidazole 5-fluoro-1-methyl-2-(4-methyl-4-…

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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) 2.17 6.33 -50.39 2 3 1 34 248.325 1 ↓
Lo Low (pH 4.5-6) 2.17 6.71 -96.35 3 3 2 36 249.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-5-fluoro-2-(4-methyl-4-piperidyl)benzimidazole 1-ethyl-5-fluoro-2-(4-methyl-4-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) 2.55 7.07 -50.27 2 3 1 34 262.352 2 ↓
Lo Low (pH 4.5-6) 2.55 7.46 -94.64 3 3 2 36 263.36 2 ↓

Analogs

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Popular Name: 5-fluoro-2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 5-fluoro-2-(4-methyl-4-piperidyl…

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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) 3.05 7.82 -50.06 2 3 1 34 276.379 3 ↓
Lo Low (pH 4.5-6) 3.05 8.21 -95.24 3 3 2 36 277.387 3 ↓

Analogs

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Popular Name: 5-fluoro-1-isopropyl-2-(4-methyl-4-piperidyl)benzimidazole 5-fluoro-1-isopropyl-2-(4-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) 2.91 7.51 -49.62 2 3 1 34 276.379 2 ↓
Lo Low (pH 4.5-6) 2.91 7.89 -94.36 3 3 2 36 277.387 2 ↓

Analogs

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Popular Name: 5-chloro-1-methyl-2-(4-methyl-4-piperidyl)benzimidazole 5-chloro-1-methyl-2-(4-methyl-4-…

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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) 2.69 6.77 -49.46 2 3 1 34 264.78 1 ↓
Lo Low (pH 4.5-6) 2.69 7.15 -95.97 3 3 2 36 265.788 1 ↓

Analogs

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Popular Name: 5-chloro-1-ethyl-2-(4-methyl-4-piperidyl)benzimidazole 5-chloro-1-ethyl-2-(4-methyl-4-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) 3.06 7.51 -49.44 2 3 1 34 278.807 2 ↓
Lo Low (pH 4.5-6) 3.06 7.9 -94.35 3 3 2 36 279.815 2 ↓

Analogs

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Popular Name: 5-chloro-2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 5-chloro-2-(4-methyl-4-piperidyl…

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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) 3.57 8.26 -49.27 2 3 1 34 292.834 3 ↓
Lo Low (pH 4.5-6) 3.57 8.65 -94.9 3 3 2 36 293.842 3 ↓

Analogs

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Popular Name: 5-chloro-1-isopropyl-2-(4-methyl-4-piperidyl)benzimidazole 5-chloro-1-isopropyl-2-(4-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) 3.43 7.95 -48.85 2 3 1 34 292.834 2 ↓
Lo Low (pH 4.5-6) 3.43 8.33 -94.09 3 3 2 36 293.842 2 ↓

Analogs

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Popular Name: 6-bromo-2-(4-methyl-4-piperidyl)-1H-benzimidazole 6-bromo-2-(4-methyl-4-piperidyl)…

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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) 2.75 5.64 -47.02 3 3 1 45 295.204 1 ↓
Lo Low (pH 4.5-6) 2.75 5.94 -96.14 4 3 2 47 296.212 1 ↓

Analogs

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Popular Name: 5-bromo-1-methyl-2-(4-methyl-4-piperidyl)benzimidazole 5-bromo-1-methyl-2-(4-methyl-4-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) 2.82 6.87 -49.38 2 3 1 34 309.231 1 ↓
Lo Low (pH 4.5-6) 2.82 7.25 -96.32 3 3 2 36 310.239 1 ↓

Analogs

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Popular Name: 5-bromo-1-ethyl-2-(4-methyl-4-piperidyl)benzimidazole 5-bromo-1-ethyl-2-(4-methyl-4-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) 3.20 7.61 -49.34 2 3 1 34 323.258 2 ↓
Lo Low (pH 4.5-6) 3.20 8.01 -94.75 3 3 2 36 324.266 2 ↓

Analogs

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Popular Name: 5-bromo-2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 5-bromo-2-(4-methyl-4-piperidyl)…

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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) 3.70 8.37 -49.22 2 3 1 34 337.285 3 ↓
Lo Low (pH 4.5-6) 3.70 8.75 -95.18 3 3 2 36 338.293 3 ↓

Analogs

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Popular Name: 5-bromo-1-isopropyl-2-(4-methyl-4-piperidyl)benzimidazole 5-bromo-1-isopropyl-2-(4-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) 3.56 8.05 -48.77 2 3 1 34 337.285 2 ↓
Lo Low (pH 4.5-6) 3.56 8.44 -94.39 3 3 2 36 338.293 2 ↓

Analogs

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Popular Name: 4-fluoro-2-(4-methyl-4-piperidyl)-1H-benzimidazole 4-fluoro-2-(4-methyl-4-piperidyl…

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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) 2.08 5.07 -48.74 3 3 1 45 234.298 1 ↓
Lo Low (pH 4.5-6) 2.08 5.39 -93.65 4 3 2 47 235.306 1 ↓

Analogs

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Popular Name: 4-fluoro-1-methyl-2-(4-methyl-4-piperidyl)benzimidazole 4-fluoro-1-methyl-2-(4-methyl-4-…

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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) 2.15 6.32 -51.49 2 3 1 34 248.325 1 ↓
Lo Low (pH 4.5-6) 2.15 6.7 -94.33 3 3 2 36 249.333 1 ↓

Analogs

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Popular Name: 1-ethyl-4-fluoro-2-(4-methyl-4-piperidyl)benzimidazole 1-ethyl-4-fluoro-2-(4-methyl-4-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) 2.53 7.06 -51.33 2 3 1 34 262.352 2 ↓
Lo Low (pH 4.5-6) 2.53 7.45 -91.51 3 3 2 36 263.36 2 ↓

Analogs

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Popular Name: 4-fluoro-2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 4-fluoro-2-(4-methyl-4-piperidyl…

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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) 3.03 7.81 -51.11 2 3 1 34 276.379 3 ↓
Lo Low (pH 4.5-6) 3.03 8.2 -91.99 3 3 2 36 277.387 3 ↓

Analogs

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Popular Name: 4-fluoro-1-isopropyl-2-(4-methyl-4-piperidyl)benzimidazole 4-fluoro-1-isopropyl-2-(4-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) 2.89 7.5 -50.6 2 3 1 34 276.379 2 ↓
Lo Low (pH 4.5-6) 2.89 7.88 -91.03 3 3 2 36 277.387 2 ↓

Analogs

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Popular Name: 7-chloro-1-methyl-2-(4-methyl-4-piperidyl)benzimidazole 7-chloro-1-methyl-2-(4-methyl-4-…

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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) 2.66 6.59 -47.78 2 3 1 34 264.78 1 ↓
Lo Low (pH 4.5-6) 2.66 6.98 -92.73 3 3 2 36 265.788 1 ↓

Analogs

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Popular Name: 7-chloro-2-(4-methyl-4-piperidyl)-1H-benzimidazole 7-chloro-2-(4-methyl-4-piperidyl…

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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) 2.60 5.52 -47.2 3 3 1 45 250.753 1 ↓

Analogs

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Popular Name: 7-chloro-1-ethyl-2-(4-methyl-4-piperidyl)benzimidazole 7-chloro-1-ethyl-2-(4-methyl-4-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) 3.04 7.27 -48.21 2 3 1 34 278.807 2 ↓
Lo Low (pH 4.5-6) 3.04 7.66 -93.54 3 3 2 36 279.815 2 ↓

Analogs

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Popular Name: 7-chloro-2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 7-chloro-2-(4-methyl-4-piperidyl…

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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 8.01 -48.38 2 3 1 34 292.834 3 ↓
Lo Low (pH 4.5-6) 3.54 8.41 -94.27 3 3 2 36 293.842 3 ↓

Analogs

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Popular Name: 7-chloro-1-isopropyl-2-(4-methyl-4-piperidyl)benzimidazole 7-chloro-1-isopropyl-2-(4-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) 3.40 7.55 -47.33 2 3 1 34 292.834 2 ↓
Lo Low (pH 4.5-6) 3.40 7.93 -93.25 3 3 2 36 293.842 2 ↓

Analogs

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Popular Name: 2-[2-(4-methyl-4-piperidyl)benzimidazol-1-yl]ethanol 2-[2-(4-methyl-4-piperidyl)benzi…

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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) 1.40 3.63 -49.11 3 4 1 55 260.361 3 ↓
Lo Low (pH 4.5-6) 1.40 4.05 -91.24 4 4 2 56 261.369 3 ↓

Analogs

11567879
11567879

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Popular Name: 5,6-dimethoxy-2-(4-methyl-4-piperidyl)-1H-benzimidazole 5,6-dimethoxy-2-(4-methyl-4-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) 1.59 4.21 -50.23 3 5 1 64 276.36 3 ↓
Lo Low (pH 4.5-6) 1.59 4.54 -98.46 4 5 2 65 277.368 3 ↓

Analogs

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Popular Name: 4-methyl-2-(4-methyl-4-piperidyl)-1H-benzimidazole 4-methyl-2-(4-methyl-4-piperidyl…

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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) 2.37 5.64 -46.08 3 3 1 45 230.335 1 ↓
Lo Low (pH 4.5-6) 2.37 5.96 -91.41 4 3 2 47 231.343 1 ↓

Analogs

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Popular Name: 2-(4-methyl-4-piperidyl)-6-methylsulfonyl-1H-benzimidazole 2-(4-methyl-4-piperidyl)-6-methy…

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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) 0.81 2.55 -55.45 3 5 1 79 294.4 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-(4-methyl-4-piperidyl)-1H-benzimidazole 5,6-dimethyl-2-(4-methyl-4-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) 2.77 6.24 -46.29 3 3 1 45 244.362 1 ↓
Lo Low (pH 4.5-6) 2.77 6.58 -91.78 4 3 2 47 245.37 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-1-methyl-2-(4-methyl-4-piperidyl)benzimidazole 6-fluoro-1-methyl-2-(4-methyl-4-…

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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) 2.17 6.32 -49.12 2 3 1 34 248.325 1 ↓
Lo Low (pH 4.5-6) 2.17 6.7 -95.9 3 3 2 36 249.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-6-fluoro-2-(4-methyl-4-piperidyl)benzimidazole 1-ethyl-6-fluoro-2-(4-methyl-4-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) 2.55 7.06 -49.3 2 3 1 34 262.352 2 ↓
Lo Low (pH 4.5-6) 2.55 7.49 -95.98 3 3 2 36 263.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-fluoro-2-(4-methyl-4-piperidyl)-1-propyl-benzimidazole 6-fluoro-2-(4-methyl-4-piperidyl…

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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) 3.05 7.82 -49.31 2 3 1 34 276.379 3 ↓
Lo Low (pH 4.5-6) 3.05 8.2 -96.22 3 3 2 36 277.387 3 ↓

Parameters Provided:

ring.id = 6893
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 6893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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