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Analogs

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Popular Name: 1-[2-(2,4-dichlorophenyl)ethyl]benzimidazol-5-amine 1-[2-(2,4-dichlorophenyl)ethyl]b…

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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) 3.64 9.29 -10.03 2 3 0 44 306.196 3 ↓
Mid Mid (pH 6-8) 3.64 9.78 -36.43 3 3 1 45 307.204 3 ↓

Analogs

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Popular Name: 1-[2-(2,4-dichlorophenyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[2-(2,4-dichlorophenyl)ethyl]-…

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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) 3.73 9.04 -9.81 2 3 0 44 320.223 3 ↓
Mid Mid (pH 6-8) 3.73 9.48 -28.13 3 3 1 45 321.231 3 ↓

Analogs

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Popular Name: 1-phenethyl-2-propyl-benzimidazol-5-amine 1-phenethyl-2-propyl-benzimidazo…

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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) 3.52 9.57 -9.42 2 3 0 44 279.387 5 ↓
Mid Mid (pH 6-8) 3.52 9.86 -27 3 3 1 45 280.395 5 ↓

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)ethyl]benzimidazol-5-amine 1-[2-(4-methoxyphenyl)ethyl]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) 2.41 7.68 -11.32 2 4 0 53 267.332 4 ↓
Mid Mid (pH 6-8) 2.41 8.16 -35.77 3 4 1 54 268.34 4 ↓

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[2-(4-methoxyphenyl)ethyl]-2-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) 2.50 7.48 -11.81 2 4 0 53 281.359 4 ↓
Mid Mid (pH 6-8) 2.50 7.92 -31.31 3 4 1 54 282.367 4 ↓

Analogs

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Popular Name: 1-[2-(4-fluorophenyl)ethyl]benzimidazol-5-amine 1-[2-(4-fluorophenyl)ethyl]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) 2.52 8.45 -11.1 2 3 0 44 255.296 3 ↓
Mid Mid (pH 6-8) 2.52 8.93 -37.26 3 3 1 45 256.304 3 ↓

Analogs

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Popular Name: 1-[2-(4-fluorophenyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[2-(4-fluorophenyl)ethyl]-2-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) 2.60 8.25 -11.57 2 3 0 44 269.323 3 ↓
Mid Mid (pH 6-8) 2.60 8.69 -32.51 3 3 1 45 270.331 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[2-(4-fluorophenyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(4-fluorophenyl)eth…

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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) 3.18 8.86 -11.21 2 3 0 44 283.35 4 ↓
Mid Mid (pH 6-8) 3.18 9.15 -30.87 3 3 1 45 284.358 4 ↓

Analogs

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Popular Name: 1-[2-(2-fluorophenyl)ethyl]benzimidazol-5-amine 1-[2-(2-fluorophenyl)ethyl]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) 2.47 8.41 -10.69 2 3 0 44 255.296 3 ↓
Mid Mid (pH 6-8) 2.47 8.9 -34.3 3 3 1 45 256.304 3 ↓

Analogs

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Popular Name: 1-[2-(2-fluorophenyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[2-(2-fluorophenyl)ethyl]-2-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) 2.56 8.22 -10.35 2 3 0 44 269.323 3 ↓
Mid Mid (pH 6-8) 2.56 8.65 -26.36 3 3 1 45 270.331 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[2-(2-fluorophenyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(2-fluorophenyl)eth…

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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) 3.13 8.82 -10.11 2 3 0 44 283.35 4 ↓
Mid Mid (pH 6-8) 3.13 9.12 -25.22 3 3 1 45 284.358 4 ↓

Analogs

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Popular Name: 1-[2-(3-fluorophenyl)ethyl]benzimidazol-5-amine 1-[2-(3-fluorophenyl)ethyl]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) 2.49 8.45 -10.85 2 3 0 44 255.296 3 ↓
Mid Mid (pH 6-8) 2.49 8.93 -35.46 3 3 1 45 256.304 3 ↓

Analogs

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Popular Name: 1-[2-(3-fluorophenyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[2-(3-fluorophenyl)ethyl]-2-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) 2.58 8.25 -11.12 2 3 0 44 269.323 3 ↓
Mid Mid (pH 6-8) 2.58 8.69 -30.64 3 3 1 45 270.331 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[2-(3-fluorophenyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(3-fluorophenyl)eth…

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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) 3.15 8.86 -10.83 2 3 0 44 283.35 4 ↓
Mid Mid (pH 6-8) 3.15 9.15 -29.25 3 3 1 45 284.358 4 ↓

Analogs

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Popular Name: 1-[2-(m-tolyl)ethyl]benzimidazol-5-amine 1-[2-(m-tolyl)ethyl]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) 2.78 9.04 -9.57 2 3 0 44 251.333 3 ↓
Mid Mid (pH 6-8) 2.78 9.53 -33.24 3 3 1 45 252.341 3 ↓

Analogs

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Popular Name: 2-methyl-1-[2-(m-tolyl)ethyl]benzimidazol-5-amine 2-methyl-1-[2-(m-tolyl)ethyl]ben…

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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) 2.87 8.82 -10.06 2 3 0 44 265.36 3 ↓
Mid Mid (pH 6-8) 2.87 9.26 -28.66 3 3 1 45 266.368 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[2-(m-tolyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(m-tolyl)ethyl]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) 3.44 9.45 -9.73 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 3.44 9.75 -27.08 3 3 1 45 280.395 4 ↓

Analogs

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Popular Name: 1-[2-(4-chlorophenyl)ethyl]-1H-1,3-benzodiazol-5-amine 1-[2-(4-chlorophenyl)ethyl]-1H-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) 3.03 8.9 -10.43 2 3 0 44 271.751 3 ↓
Mid Mid (pH 6-8) 3.03 9.38 -36.2 3 3 1 45 272.759 3 ↓

Analogs

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Popular Name: 1-[2-(4-chlorophenyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[2-(4-chlorophenyl)ethyl]-2-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) 3.12 8.7 -10.85 2 3 0 44 285.778 3 ↓
Mid Mid (pH 6-8) 3.12 9.14 -31.47 3 3 1 45 286.786 3 ↓

Analogs

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Popular Name: 1-[2-(4-chlorophenyl)ethyl]-2-ethyl-benzimidazol-5-amine 1-[2-(4-chlorophenyl)ethyl]-2-et…

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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) 3.69 9.31 -10.54 2 3 0 44 299.805 4 ↓
Mid Mid (pH 6-8) 3.69 9.6 -29.78 3 3 1 45 300.813 4 ↓

Analogs

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Popular Name: 2-[2-(benzimidazol-1-yl)ethyl]aniline 2-[2-(benzimidazol-1-yl)ethyl]an…

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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) 2.74 8.48 -8.92 2 3 0 44 237.306 3 ↓
Mid Mid (pH 6-8) 2.74 8.96 -34.23 3 3 1 45 238.314 3 ↓

Analogs

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Popular Name: 2-[2-(2-methylbenzimidazol-1-yl)ethyl]aniline 2-[2-(2-methylbenzimidazol-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) 2.82 8.33 -9.48 2 3 0 44 251.333 3 ↓
Mid Mid (pH 6-8) 2.82 8.77 -29.87 3 3 1 45 252.341 3 ↓

Analogs

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Popular Name: 2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]aniline 2-[2-(5,6-dimethylbenzimidazol-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) 3.54 9.71 -9.09 2 3 0 44 265.36 3 ↓
Mid Mid (pH 6-8) 3.54 10.19 -34.11 3 3 1 45 266.368 3 ↓

Analogs

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Popular Name: N-[(1R)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]ethanesulfonamide N-[(1R)-2-(benzimidazol-1-yl)-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) 2.78 7.73 -20.8 1 5 0 64 347.415 6 ↓
Mid Mid (pH 6-8) 2.78 8.21 -46.85 2 5 1 65 348.423 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]ethanesulfonamide N-[(1S)-2-(benzimidazol-1-yl)-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) 2.78 7.56 -17.84 1 5 0 64 347.415 6 ↓
Mid Mid (pH 6-8) 2.78 8.03 -52.67 2 5 1 65 348.423 6 ↓

Analogs

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Popular Name: (1S)-2-(2-methylbenzimidazol-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (1S)-2-(2-methylbenzimidazol-1-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) 3.25 7.8 -12.28 1 3 0 38 320.314 4 ↓
Mid Mid (pH 6-8) 3.25 8.24 -27.69 2 3 1 39 321.322 4 ↓

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-2-(2-propylbenzimidazol-1-yl)ethanol (1S)-1-(4-fluorophenyl)-2-(2-pro…

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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) 3.64 8.31 -11.54 1 3 0 38 298.361 5 ↓
Mid Mid (pH 6-8) 3.64 8.72 -33.05 2 3 1 39 299.369 5 ↓

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-2-(2-propylbenzimidazol-1-yl)ethanol (1R)-1-(4-fluorophenyl)-2-(2-pro…

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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) 3.64 8.33 -11.64 1 3 0 38 298.361 5 ↓
Mid Mid (pH 6-8) 3.64 8.74 -33.21 2 3 1 39 299.369 5 ↓

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanol (1S)-1-(4-fluorophenyl)-2-[2-(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) 1.95 4.49 -25.78 1 5 0 72 348.399 5 ↓
Lo Low (pH 4.5-6) 1.95 4.9 -46.11 2 5 1 73 349.407 5 ↓

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanol (1R)-1-(4-fluorophenyl)-2-[2-(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) 1.95 4.56 -23.45 1 5 0 72 348.399 5 ↓
Lo Low (pH 4.5-6) 1.95 4.97 -41.95 2 5 1 73 349.407 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[1-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]benzimidazol-2-yl]ethyl]acetamide N-[(1S)-1-[1-[(2R)-2-(3-fluoroph…

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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) 2.03 6.53 -11.53 2 5 0 67 341.386 5 ↓
Mid Mid (pH 6-8) 2.03 6.71 -36.86 3 5 1 68 342.394 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[1-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]benzimidazol-2-yl]ethyl]acetamide N-[(1S)-1-[1-[(2S)-2-(3-fluoroph…

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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) 2.03 6.12 -13.95 2 5 0 67 341.386 5 ↓
Mid Mid (pH 6-8) 2.03 6.64 -36.67 3 5 1 68 342.394 5 ↓

Analogs

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Popular Name: (1R)-2-(2-methylbenzimidazol-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (1R)-2-(2-methylbenzimidazol-1-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) 3.25 7.9 -13.63 1 3 0 38 320.314 4 ↓
Mid Mid (pH 6-8) 3.25 8.34 -31.39 2 3 1 39 321.322 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol (1R)-1-[4-(difluoromethoxy)pheny…

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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) 2.47 5.27 -32.47 4 6 1 81 364.372 8 ↓
Mid Mid (pH 6-8) 2.47 4.84 -16.33 3 6 0 80 363.364 8 ↓

Analogs

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Popular Name: N-[(1S)-1-[1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxy-ethyl]benzimidazol-2-yl]ethyl]acetamide N-[(1S)-1-[1-[(2R)-2-(3,4-difluo…

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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 6.58 -13.33 2 5 0 67 359.376 5 ↓
Mid Mid (pH 6-8) 2.15 6.77 -41.02 3 5 1 68 360.384 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxy-ethyl]benzimidazol-2-yl]ethyl]acetamide N-[(1S)-1-[1-[(2S)-2-(3,4-difluo…

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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 6.18 -15.7 2 5 0 67 359.376 5 ↓
Mid Mid (pH 6-8) 2.15 6.69 -41.04 3 5 1 68 360.384 5 ↓

Analogs

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Popular Name: 4-[2-(2-ethylbenzimidazol-1-yl)ethyl]aniline 4-[2-(2-ethylbenzimidazol-1-yl)e…

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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 8.8 -9.38 2 3 0 44 265.36 4 ↓
Mid Mid (pH 6-8) 3.04 9.1 -27.37 3 3 1 45 266.368 4 ↓

Analogs

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Popular Name: (1R)-1-(4-aminophenyl)-2-(2-ethylbenzimidazol-1-yl)ethanol (1R)-1-(4-aminophenyl)-2-(2-ethy…

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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) 2.05 5.88 -11.93 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.05 6.07 -29.12 4 4 1 65 282.367 4 ↓

Analogs

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Popular Name: (1S)-1-(4-aminophenyl)-2-(2-ethylbenzimidazol-1-yl)ethanol (1S)-1-(4-aminophenyl)-2-(2-ethy…

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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) 2.05 5.63 -11.87 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.05 5.92 -29.03 4 4 1 65 282.367 4 ↓

Analogs

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Popular Name: (1R)-1-(3-aminophenyl)-2-(2-ethylbenzimidazol-1-yl)ethanol (1R)-1-(3-aminophenyl)-2-(2-ethy…

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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) 2.02 5.87 -11.88 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.02 6.06 -29.42 4 4 1 65 282.367 4 ↓

Analogs

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Popular Name: (1S)-1-(3-aminophenyl)-2-(2-ethylbenzimidazol-1-yl)ethanol (1S)-1-(3-aminophenyl)-2-(2-ethy…

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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) 2.02 5.62 -11.71 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.02 5.92 -29.26 4 4 1 65 282.367 4 ↓

Analogs

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Popular Name: (1R)-1-(2-aminophenyl)-2-(2-ethylbenzimidazol-1-yl)ethanol (1R)-1-(2-aminophenyl)-2-(2-ethy…

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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 -11.41 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.41 6.29 -29.61 4 4 1 65 282.367 4 ↓

Analogs

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Popular Name: (1S)-1-(2-aminophenyl)-2-(2-ethylbenzimidazol-1-yl)ethanol (1S)-1-(2-aminophenyl)-2-(2-ethy…

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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 5.85 -11.31 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.41 6.15 -29.4 4 4 1 65 282.367 4 ↓

Analogs

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Popular Name: 2-[2-(2-ethylbenzimidazol-1-yl)ethyl]aniline 2-[2-(2-ethylbenzimidazol-1-yl)e…

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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 8.94 -9.12 2 3 0 44 265.36 4 ↓
Mid Mid (pH 6-8) 3.40 9.22 -28.09 3 3 1 45 266.368 4 ↓

Analogs

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Popular Name: (1R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-1-phenyl-ethanamine (1R)-2-(2-ethylbenzimidazol-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) 3.52 9.9 -55.55 2 3 1 34 280.395 5 ↓
Hi High (pH 8-9.5) 3.52 9.15 -8.96 1 3 0 30 279.387 5 ↓
Mid Mid (pH 6-8) 3.52 10.23 -99.47 3 3 2 36 281.403 5 ↓

Analogs

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Popular Name: (1S)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-1-phenyl-ethanamine (1S)-2-(2-ethylbenzimidazol-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) 3.52 10.03 -44.72 2 3 1 34 280.395 5 ↓
Hi High (pH 8-9.5) 3.52 8.85 -7.31 1 3 0 30 279.387 5 ↓
Mid Mid (pH 6-8) 3.52 10.33 -95.47 3 3 2 36 281.403 5 ↓

Analogs

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Popular Name: (1R)-2-(2-ethylbenzimidazol-1-yl)-1-(o-tolyl)ethanamine (1R)-2-(2-ethylbenzimidazol-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) 1.67 8.73 -50.89 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 1.67 8.47 -8.36 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 1.67 9.12 -104.1 4 3 2 47 281.403 4 ↓

Analogs

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Popular Name: (1S)-2-(2-ethylbenzimidazol-1-yl)-1-(o-tolyl)ethanamine (1S)-2-(2-ethylbenzimidazol-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) 1.67 8.63 -49.36 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 1.67 8.28 -9.12 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 1.67 8.91 -102.01 4 3 2 47 281.403 4 ↓

Analogs

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Popular Name: (1R)-2-(2-ethylbenzimidazol-1-yl)-1-(p-tolyl)ethanamine (1R)-2-(2-ethylbenzimidazol-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) 1.72 8.93 -51.11 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 1.72 8.77 -9.33 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 1.72 9.41 -104.74 4 3 2 47 281.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-ethylbenzimidazol-1-yl)-1-(p-tolyl)ethanamine (1S)-2-(2-ethylbenzimidazol-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) 1.72 8.98 -50.92 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 1.72 8.62 -8.28 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 1.72 9.26 -102.85 4 3 2 47 281.403 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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