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Analogs

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Popular Name: (1R)-1-(1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1H-benzimidazol-2-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) 2.94 5.21 -7.39 3 3 0 55 237.306 2 ↓
Mid Mid (pH 6-8) 2.94 5.46 -50.01 4 3 1 56 238.314 2 ↓
Lo Low (pH 4.5-6) 2.94 6.02 -109.19 5 3 2 58 239.322 2 ↓

Analogs

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Popular Name: (1S)-1-(1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1H-benzimidazol-2-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) 2.94 5.23 -7.97 3 3 0 55 237.306 2 ↓
Mid Mid (pH 6-8) 2.94 5.46 -50.01 4 3 1 56 238.314 2 ↓
Lo Low (pH 4.5-6) 2.94 5.99 -109.13 5 3 2 58 239.322 2 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-chloro-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) 3.60 5.73 -6.83 3 3 0 55 271.751 2 ↓
Mid Mid (pH 6-8) 3.60 5.97 -52.92 4 3 1 56 272.759 2 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-chloro-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) 3.60 5.75 -7.74 3 3 0 55 271.751 2 ↓
Mid Mid (pH 6-8) 3.60 5.97 -52.9 4 3 1 56 272.759 2 ↓

Analogs

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Popular Name: (1R)-1-(1-methylbenzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1-methylbenzimidazol-2-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) 3.01 6.68 -9.46 2 3 0 44 251.333 2 ↓
Mid Mid (pH 6-8) 3.01 7.09 -23.65 3 3 1 45 252.341 2 ↓
Mid Mid (pH 6-8) 3.01 6.8 -46.91 3 3 1 45 252.341 2 ↓

Analogs

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Popular Name: (1S)-1-(1-methylbenzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1-methylbenzimidazol-2-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) 3.01 6.52 -7.88 2 3 0 44 251.333 2 ↓
Mid Mid (pH 6-8) 3.01 6.91 -24.41 3 3 1 45 252.341 2 ↓
Mid Mid (pH 6-8) 3.01 6.74 -47.8 3 3 1 45 252.341 2 ↓

Analogs

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Popular Name: (1R)-1-(1-ethylbenzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1-ethylbenzimidazol-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) 3.39 8.21 -8.43 2 3 0 44 265.36 3 ↓
Mid Mid (pH 6-8) 3.39 7.61 -23.68 3 3 1 45 266.368 3 ↓
Mid Mid (pH 6-8) 3.39 8.36 -48.14 3 3 1 45 266.368 3 ↓

Analogs

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Popular Name: (1S)-1-(1-ethylbenzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1-ethylbenzimidazol-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) 3.39 7.49 -9.32 2 3 0 44 265.36 3 ↓
Mid Mid (pH 6-8) 3.39 7.9 -22.96 3 3 1 45 266.368 3 ↓
Mid Mid (pH 6-8) 3.39 7.72 -45.92 3 3 1 45 266.368 3 ↓

Analogs

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Popular Name: (1R)-1-phenyl-1-(1-propylbenzimidazol-2-yl)ethanamine (1R)-1-phenyl-1-(1-propylbenzimi…

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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) 3.89 8.95 -7.87 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 3.89 8.33 -23.48 3 3 1 45 280.395 4 ↓
Mid Mid (pH 6-8) 3.89 9.11 -47.39 3 3 1 45 280.395 4 ↓

Analogs

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Popular Name: (1S)-1-phenyl-1-(1-propylbenzimidazol-2-yl)ethanamine (1S)-1-phenyl-1-(1-propylbenzimi…

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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) 3.89 8.26 -8.95 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 3.89 8.65 -22.7 3 3 1 45 280.395 4 ↓
Mid Mid (pH 6-8) 3.89 8.47 -45.38 3 3 1 45 280.395 4 ↓

Analogs

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Popular Name: (1R)-1-(1-isopropylbenzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1-isopropylbenzimidazol-…

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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) 3.75 7.69 -7.17 2 3 0 44 279.387 3 ↓
Mid Mid (pH 6-8) 3.75 8.09 -22.8 3 3 1 45 280.395 3 ↓
Mid Mid (pH 6-8) 3.75 7.89 -45.77 3 3 1 45 280.395 3 ↓

Analogs

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Popular Name: (1S)-1-(1-isopropylbenzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1-isopropylbenzimidazol-…

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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) 3.75 8.15 -7.98 2 3 0 44 279.387 3 ↓
Mid Mid (pH 6-8) 3.75 8.22 -47.58 3 3 1 45 280.395 3 ↓
Mid Mid (pH 6-8) 3.75 8.43 -20.97 3 3 1 45 280.395 3 ↓

Analogs

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Popular Name: (1R)-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(6-methyl-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) 3.37 5.88 -7.22 3 3 0 55 251.333 2 ↓
Mid Mid (pH 6-8) 3.37 6.13 -50.22 4 3 1 56 252.341 2 ↓
Lo Low (pH 4.5-6) 3.37 6.61 -110.08 5 3 2 58 253.349 2 ↓

Analogs

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Popular Name: (1S)-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(6-methyl-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) 3.37 5.9 -7.8 3 3 0 55 251.333 2 ↓
Mid Mid (pH 6-8) 3.37 6.13 -50.14 4 3 1 56 252.341 2 ↓
Lo Low (pH 4.5-6) 3.37 6.64 -110.15 5 3 2 58 253.349 2 ↓

Analogs

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Popular Name: (1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5,6-difluoro-1H-benzimid…

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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) 3.17 5.34 -6.46 3 3 0 55 273.286 2 ↓
Mid Mid (pH 6-8) 3.17 5.58 -55.9 4 3 1 56 274.294 2 ↓

Analogs

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Popular Name: (1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5,6-difluoro-1H-benzimid…

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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) 3.17 5.36 -7.5 3 3 0 55 273.286 2 ↓
Mid Mid (pH 6-8) 3.17 5.58 -55.87 4 3 1 56 274.294 2 ↓

Analogs

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Popular Name: (1R)-1-(1,5-dimethylbenzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1,5-dimethylbenzimidazol…

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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 7.21 -8 2 3 0 44 265.36 2 ↓
Mid Mid (pH 6-8) 3.44 7.95 -21.84 3 3 1 45 266.368 2 ↓
Mid Mid (pH 6-8) 3.44 7.39 -48.07 3 3 1 45 266.368 2 ↓

Analogs

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Popular Name: (1S)-1-(1,5-dimethylbenzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1,5-dimethylbenzimidazol…

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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 7.26 -9.5 2 3 0 44 265.36 2 ↓
Mid Mid (pH 6-8) 3.44 7.5 -47.04 3 3 1 45 266.368 2 ↓
Mid Mid (pH 6-8) 3.44 7.7 -23.81 3 3 1 45 266.368 2 ↓

Analogs

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Popular Name: (1R)-1-(1-ethyl-5-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1-ethyl-5-methyl-benzimi…

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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) 3.81 9.07 -8.84 2 3 0 44 279.387 3 ↓
Mid Mid (pH 6-8) 3.81 8.28 -23.31 3 3 1 45 280.395 3 ↓
Mid Mid (pH 6-8) 3.81 9.03 -48.29 3 3 1 45 280.395 3 ↓

Analogs

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Popular Name: (1S)-1-(1-ethyl-5-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1-ethyl-5-methyl-benzimi…

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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) 3.81 8.2 -7.69 2 3 0 44 279.387 3 ↓
Mid Mid (pH 6-8) 3.81 8.57 -22.54 3 3 1 45 280.395 3 ↓
Mid Mid (pH 6-8) 3.81 8.39 -45.99 3 3 1 45 280.395 3 ↓

Analogs

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Popular Name: (1R)-1-(5-fluoro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-fluoro-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) 3.08 5.28 -5.95 3 3 0 55 255.296 2 ↓
Mid Mid (pH 6-8) 3.08 5.53 -51.43 4 3 1 56 256.304 2 ↓

Analogs

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Popular Name: (1S)-1-(5-fluoro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-fluoro-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) 3.08 5.3 -6.59 3 3 0 55 255.296 2 ↓
Mid Mid (pH 6-8) 3.08 5.53 -51.44 4 3 1 56 256.304 2 ↓

Analogs

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Popular Name: (1R)-1-(5-fluoro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-fluoro-1-methyl-benzim…

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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 6.69 -7.57 2 3 0 44 269.323 2 ↓
Mid Mid (pH 6-8) 3.15 6.87 -49.88 3 3 1 45 270.331 2 ↓
Lo Low (pH 4.5-6) 3.15 7.26 -109.08 4 3 2 47 271.339 2 ↓

Analogs

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Popular Name: (1S)-1-(5-fluoro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-fluoro-1-methyl-benzim…

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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 7.06 -8.51 2 3 0 44 269.323 2 ↓
Mid Mid (pH 6-8) 3.15 6.81 -50.96 3 3 1 45 270.331 2 ↓
Lo Low (pH 4.5-6) 3.15 7.2 -109.77 4 3 2 47 271.339 2 ↓

Analogs

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Popular Name: (1R)-1-(1-ethyl-5-fluoro-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1-ethyl-5-fluoro-benzimi…

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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) 3.53 8.28 -8.72 2 3 0 44 283.35 3 ↓
Mid Mid (pH 6-8) 3.53 8.44 -51.6 3 3 1 45 284.358 3 ↓
Lo Low (pH 4.5-6) 3.53 7.86 -108.42 4 3 2 47 285.366 3 ↓

Analogs

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Popular Name: (1S)-1-(1-ethyl-5-fluoro-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1-ethyl-5-fluoro-benzimi…

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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) 3.53 7.57 -9 2 3 0 44 283.35 3 ↓
Mid Mid (pH 6-8) 3.53 7.8 -48.8 3 3 1 45 284.358 3 ↓
Lo Low (pH 4.5-6) 3.53 8.2 -106.1 4 3 2 47 285.366 3 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-chloro-1-methyl-benzim…

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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 7.2 -8.6 2 3 0 44 285.778 2 ↓
Mid Mid (pH 6-8) 3.66 7.31 -48.96 3 3 1 45 286.786 2 ↓
Lo Low (pH 4.5-6) 3.66 7.7 -108.87 4 3 2 47 287.794 2 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-chloro-1-methyl-benzim…

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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 7.03 -7.2 2 3 0 44 285.778 2 ↓
Mid Mid (pH 6-8) 3.66 7.25 -49.98 3 3 1 45 286.786 2 ↓
Lo Low (pH 4.5-6) 3.66 7.64 -109.46 4 3 2 47 287.794 2 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-1-ethyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-chloro-1-ethyl-benzimi…

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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) 4.04 8.71 -7.98 2 3 0 44 299.805 3 ↓
Mid Mid (pH 6-8) 4.04 8.87 -50.54 3 3 1 45 300.813 3 ↓
Lo Low (pH 4.5-6) 4.04 8.3 -108.16 4 3 2 47 301.821 3 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-1-ethyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-chloro-1-ethyl-benzimi…

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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) 4.04 8 -8.37 2 3 0 44 299.805 3 ↓
Mid Mid (pH 6-8) 4.04 8.24 -47.9 3 3 1 45 300.813 3 ↓
Lo Low (pH 4.5-6) 4.04 8.64 -105.9 4 3 2 47 301.821 3 ↓

Analogs

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Popular Name: (1R)-1-(6-bromo-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(6-bromo-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) 3.73 5.83 -6.66 3 3 0 55 316.202 2 ↓
Mid Mid (pH 6-8) 3.73 6.08 -52.85 4 3 1 56 317.21 2 ↓

Analogs

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Popular Name: (1S)-1-(6-bromo-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(6-bromo-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) 3.73 5.85 -7.54 3 3 0 55 316.202 2 ↓
Mid Mid (pH 6-8) 3.73 6.08 -52.82 4 3 1 56 317.21 2 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-bromo-1-methyl-benzimi…

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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 7.3 -8.43 2 3 0 44 330.229 2 ↓
Mid Mid (pH 6-8) 3.80 7.42 -48.94 3 3 1 45 331.237 2 ↓
Lo Low (pH 4.5-6) 3.80 7.8 -109.28 4 3 2 47 332.245 2 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-bromo-1-methyl-benzimi…

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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 7.14 -7.05 2 3 0 44 330.229 2 ↓
Mid Mid (pH 6-8) 3.80 7.35 -50 3 3 1 45 331.237 2 ↓
Lo Low (pH 4.5-6) 3.80 7.75 -109.88 4 3 2 47 332.245 2 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-1-ethyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-bromo-1-ethyl-benzimid…

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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) 4.17 8.82 -7.83 2 3 0 44 344.256 3 ↓
Mid Mid (pH 6-8) 4.17 8.97 -50.51 3 3 1 45 345.264 3 ↓
Lo Low (pH 4.5-6) 4.17 8.41 -108.6 4 3 2 47 346.272 3 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-1-ethyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-bromo-1-ethyl-benzimid…

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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) 4.17 8.11 -8.21 2 3 0 44 344.256 3 ↓
Mid Mid (pH 6-8) 4.17 8.34 -47.87 3 3 1 45 345.264 3 ↓
Lo Low (pH 4.5-6) 4.17 8.75 -106.27 4 3 2 47 346.272 3 ↓

Analogs

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Popular Name: (1R)-1-(4-fluoro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(4-fluoro-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) 3.06 5.28 -10.09 3 3 0 55 255.296 2 ↓
Mid Mid (pH 6-8) 3.06 5.52 -54.73 4 3 1 56 256.304 2 ↓

Analogs

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Popular Name: (1S)-1-(4-fluoro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(4-fluoro-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) 3.06 5.31 -11.04 3 3 0 55 255.296 2 ↓
Mid Mid (pH 6-8) 3.06 5.52 -54.76 4 3 1 56 256.304 2 ↓

Analogs

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Popular Name: (1R)-1-(4-fluoro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(4-fluoro-1-methyl-benzim…

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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 6.74 -12.17 2 3 0 44 269.323 2 ↓
Mid Mid (pH 6-8) 3.13 6.87 -50.34 3 3 1 45 270.331 2 ↓

Analogs

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Popular Name: (1S)-1-(4-fluoro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(4-fluoro-1-methyl-benzim…

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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 6.58 -10.63 2 3 0 44 269.323 2 ↓
Mid Mid (pH 6-8) 3.13 6.8 -51.57 3 3 1 45 270.331 2 ↓

Analogs

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Popular Name: (1R)-1-(1-ethyl-4-fluoro-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1-ethyl-4-fluoro-benzimi…

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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 8.46 -11.33 2 3 0 44 283.35 3 ↓
Mid Mid (pH 6-8) 3.50 8.42 -52.62 3 3 1 45 284.358 3 ↓

Analogs

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Popular Name: (1S)-1-(1-ethyl-4-fluoro-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1-ethyl-4-fluoro-benzimi…

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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 7.6 -10.25 2 3 0 44 283.35 3 ↓
Mid Mid (pH 6-8) 3.50 7.78 -49.44 3 3 1 45 284.358 3 ↓

Analogs

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Popular Name: (1R)-1-(7-chloro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(7-chloro-1-methyl-benzim…

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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 6.92 -7.75 2 3 0 44 285.778 2 ↓
Mid Mid (pH 6-8) 3.64 7.13 -46.03 3 3 1 45 286.786 2 ↓
Lo Low (pH 4.5-6) 3.64 7.52 -105.96 4 3 2 47 287.794 2 ↓

Analogs

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Popular Name: (1S)-1-(7-chloro-1-methyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(7-chloro-1-methyl-benzim…

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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 6.86 -6.27 2 3 0 44 285.778 2 ↓
Mid Mid (pH 6-8) 3.64 7.08 -46.55 3 3 1 45 286.786 2 ↓
Lo Low (pH 4.5-6) 3.64 7.47 -105.96 4 3 2 47 287.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(7-chloro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(7-chloro-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) 3.57 5.71 -8.36 3 3 0 55 271.751 2 ↓
Mid Mid (pH 6-8) 3.57 5.96 -53.08 4 3 1 56 272.759 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(7-chloro-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(7-chloro-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) 3.57 5.73 -9.18 3 3 0 55 271.751 2 ↓
Mid Mid (pH 6-8) 3.57 5.96 -53.1 4 3 1 56 272.759 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(7-chloro-1-ethyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-1-(7-chloro-1-ethyl-benzimi…

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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) 4.02 8.65 -7.49 2 3 0 44 299.805 3 ↓
Mid Mid (pH 6-8) 4.02 8.62 -46.97 3 3 1 45 300.813 3 ↓
Lo Low (pH 4.5-6) 4.02 8.05 -105.49 4 3 2 47 301.821 3 ↓

Analogs

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Popular Name: (1S)-1-(7-chloro-1-ethyl-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-1-(7-chloro-1-ethyl-benzimi…

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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) 4.02 7.8 -6.24 2 3 0 44 299.805 3 ↓
Mid Mid (pH 6-8) 4.02 7.99 -45.5 3 3 1 45 300.813 3 ↓
Lo Low (pH 4.5-6) 4.02 8.4 -103.64 4 3 2 47 301.821 3 ↓

Analogs

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Popular Name: 2-[2-[(1R)-1-amino-1-phenyl-ethyl]benzimidazol-1-yl]ethanol 2-[2-[(1R)-1-amino-1-phenyl-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) 2.38 5.07 -8.62 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.38 5.4 -24.06 4 4 1 65 282.367 4 ↓
Mid Mid (pH 6-8) 2.38 5.02 -46.62 4 4 1 66 282.367 4 ↓

Analogs

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Popular Name: 2-[2-[(1S)-1-amino-1-phenyl-ethyl]benzimidazol-1-yl]ethanol 2-[2-[(1S)-1-amino-1-phenyl-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) 2.38 4.21 -7.81 3 4 0 64 281.359 4 ↓
Mid Mid (pH 6-8) 2.38 4.6 -25.28 4 4 1 65 282.367 4 ↓
Mid Mid (pH 6-8) 2.38 4.33 -45.05 4 4 1 66 282.367 4 ↓

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