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Analogs

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Popular Name: (1R)-1-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(5,6-dimethyl…

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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) 2.25 9.68 -56.32 3 3 1 45 300.813 2 ↓
Mid Mid (pH 6-8) 2.25 9.38 -8.55 2 3 0 44 299.805 2 ↓
Lo Low (pH 4.5-6) 2.25 10.16 -91.3 4 3 2 47 301.821 2 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(5,6-dimethyl…

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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) 2.25 9.68 -56.48 3 3 1 45 300.813 2 ↓
Mid Mid (pH 6-8) 2.25 9.35 -8.67 2 3 0 44 299.805 2 ↓
Lo Low (pH 4.5-6) 2.25 10.16 -90.27 4 3 2 47 301.821 2 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(5,6-dimethylb…

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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 9.77 -55.95 3 3 1 45 345.264 2 ↓
Mid Mid (pH 6-8) 2.39 9.47 -8.25 2 3 0 44 344.256 2 ↓
Lo Low (pH 4.5-6) 2.39 10.24 -91.28 4 3 2 47 346.272 2 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(5,6-dimethylb…

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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 9.77 -56.15 3 3 1 45 345.264 2 ↓
Mid Mid (pH 6-8) 2.39 9.43 -8.35 2 3 0 44 344.256 2 ↓
Lo Low (pH 4.5-6) 2.39 10.24 -90.25 4 3 2 47 346.272 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 3.71 10.26 -52.27 2 3 1 34 286.786 3 ↓
Hi High (pH 8-9.5) 3.71 9.08 -7.23 1 3 0 30 285.778 3 ↓
Lo Low (pH 4.5-6) 3.71 10.73 -89 3 3 2 36 287.794 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 3.71 10.25 -52.12 2 3 1 34 286.786 3 ↓
Hi High (pH 8-9.5) 3.71 9.08 -7.89 1 3 0 30 285.778 3 ↓
Lo Low (pH 4.5-6) 3.71 10.73 -87.81 3 3 2 36 287.794 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 4.08 11.11 -50.9 2 3 1 34 300.813 4 ↓
Hi High (pH 8-9.5) 4.08 10.01 -7.64 1 3 0 30 299.805 4 ↓
Lo Low (pH 4.5-6) 4.08 11.58 -88.06 3 3 2 36 301.821 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 4.08 11.1 -50.75 2 3 1 34 300.813 4 ↓
Hi High (pH 8-9.5) 4.08 9.99 -6.92 1 3 0 30 299.805 4 ↓
Lo Low (pH 4.5-6) 4.08 11.58 -87 3 3 2 36 301.821 4 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 1.45 8.49 -58.12 3 3 1 45 272.759 2 ↓
Mid Mid (pH 6-8) 1.45 8.16 -8.22 2 3 0 44 271.751 2 ↓
Lo Low (pH 4.5-6) 1.45 8.97 -94.3 4 3 2 47 273.767 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 1.45 8.48 -57.96 3 3 1 45 272.759 2 ↓
Mid Mid (pH 6-8) 1.45 8.15 -8.04 2 3 0 44 271.751 2 ↓
Lo Low (pH 4.5-6) 1.45 8.96 -93.07 4 3 2 47 273.767 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 3.84 10.34 -52.1 2 3 1 34 331.237 3 ↓
Hi High (pH 8-9.5) 3.84 9.15 -7 1 3 0 30 330.229 3 ↓
Lo Low (pH 4.5-6) 3.84 10.8 -89.09 3 3 2 36 332.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 3.84 10.32 -51.92 2 3 1 34 331.237 3 ↓
Hi High (pH 8-9.5) 3.84 9.17 -7.62 1 3 0 30 330.229 3 ↓
Lo Low (pH 4.5-6) 3.84 10.8 -87.91 3 3 2 36 332.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 4.21 11.18 -50.8 2 3 1 34 345.264 4 ↓
Hi High (pH 8-9.5) 4.21 10.09 -7.39 1 3 0 30 344.256 4 ↓
Lo Low (pH 4.5-6) 4.21 11.67 -88.19 3 3 2 36 346.272 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 4.21 11.18 -50.58 2 3 1 34 345.264 4 ↓
Hi High (pH 8-9.5) 4.21 10.07 -6.72 1 3 0 30 344.256 4 ↓
Lo Low (pH 4.5-6) 4.21 11.66 -87.12 3 3 2 36 346.272 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 1.58 8.57 -57.97 3 3 1 45 317.21 2 ↓
Mid Mid (pH 6-8) 1.58 8.24 -7.94 2 3 0 44 316.202 2 ↓
Lo Low (pH 4.5-6) 1.58 9.04 -94.45 4 3 2 47 318.218 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 1.58 8.55 -57.78 3 3 1 45 317.21 2 ↓
Mid Mid (pH 6-8) 1.58 8.23 -7.76 2 3 0 44 316.202 2 ↓
Lo Low (pH 4.5-6) 1.58 9.03 -93.2 4 3 2 47 318.218 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-6-fluoro-phenyl]ethanol (1R)-1-[2-(5,6-dimethylbenzimida…

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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) 3.42 8.55 -9.67 1 3 0 38 284.334 2 ↓
Lo Low (pH 4.5-6) 3.42 9.21 -34.01 2 3 1 39 285.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-6-fluoro-phenyl]ethanol (1S)-1-[2-(5,6-dimethylbenzimida…

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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) 3.42 8.58 -9.67 1 3 0 38 284.334 2 ↓
Lo Low (pH 4.5-6) 3.42 9.24 -33.86 2 3 1 39 285.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanol (1R)-1-[4-(5,6-dimethylbenzimida…

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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) 3.14 8.62 -9.36 1 3 0 38 266.344 2 ↓
Mid Mid (pH 6-8) 3.14 9.09 -31.53 2 3 1 39 267.352 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanol (1S)-1-[4-(5,6-dimethylbenzimida…

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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) 3.14 8.65 -9.37 1 3 0 38 266.344 2 ↓
Mid Mid (pH 6-8) 3.14 9.13 -31.83 2 3 1 39 267.352 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(5,6-dimethylbenzimidazol-1-yl)-3-fluoro-phenyl]ethanol (1R)-1-[4-(5,6-dimethylbenzimida…

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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 8.81 -11.07 1 3 0 38 284.334 2 ↓
Mid Mid (pH 6-8) 3.44 9.29 -32.51 2 3 1 39 285.342 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(5,6-dimethylbenzimidazol-1-yl)-3-fluoro-phenyl]ethanol (1S)-1-[4-(5,6-dimethylbenzimida…

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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 8.85 -11.16 1 3 0 38 284.334 2 ↓
Mid Mid (pH 6-8) 3.44 9.32 -33 2 3 1 39 285.342 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluoro-phenyl]ethanol (1R)-1-[2-(5,6-dimethylbenzimida…

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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 8.64 -8.11 1 3 0 38 284.334 2 ↓
Lo Low (pH 4.5-6) 3.44 9.12 -34.27 2 3 1 39 285.342 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluoro-phenyl]ethanol (1S)-1-[2-(5,6-dimethylbenzimida…

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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 8.71 -8.19 1 3 0 38 284.334 2 ↓
Lo Low (pH 4.5-6) 3.44 9.19 -34.16 2 3 1 39 285.342 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzimidazol-1-yl)-6-fluoro-phenyl]ethanol (1S)-1-[2-(benzimidazol-1-yl)-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) 2.62 7.38 -9.47 1 3 0 38 256.28 2 ↓
Lo Low (pH 4.5-6) 2.62 8.06 -34.14 2 3 1 39 257.288 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(benzimidazol-1-yl)-6-fluoro-phenyl]ethanol (1R)-1-[2-(benzimidazol-1-yl)-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) 2.62 7.34 -9.49 1 3 0 38 256.28 2 ↓
Lo Low (pH 4.5-6) 2.62 7.99 -34.28 2 3 1 39 257.288 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-fluoro-phenyl]ethanol (1S)-1-[4-(benzimidazol-1-yl)-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) 2.64 7.54 -10.1 1 3 0 38 256.28 2 ↓
Lo Low (pH 4.5-6) 2.64 8.1 -33.02 2 3 1 39 257.288 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-fluoro-phenyl]ethanol (1R)-1-[4-(benzimidazol-1-yl)-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) 2.64 7.49 -10.27 1 3 0 38 256.28 2 ↓
Lo Low (pH 4.5-6) 2.64 8.06 -33.67 2 3 1 39 257.288 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-nitro-phenyl]ethanol (1S)-1-[4-(benzimidazol-1-yl)-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) 2.43 8.01 -13.21 1 6 0 84 283.287 3 ↓
Lo Low (pH 4.5-6) 2.43 8.58 -39.2 2 6 1 85 284.295 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-nitro-phenyl]ethanol (1R)-1-[4-(benzimidazol-1-yl)-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) 2.43 7.98 -13.43 1 6 0 84 283.287 3 ↓
Lo Low (pH 4.5-6) 2.43 8.55 -39.97 2 6 1 85 284.295 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzimidazol-1-yl)-5-fluoro-phenyl]ethanol (1S)-1-[2-(benzimidazol-1-yl)-5-…

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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) 2.64 7.38 -7.5 1 3 0 38 256.28 2 ↓
Lo Low (pH 4.5-6) 2.64 7.86 -34.82 2 3 1 39 257.288 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(benzimidazol-1-yl)-5-fluoro-phenyl]ethanol (1R)-1-[2-(benzimidazol-1-yl)-5-…

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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) 2.64 7.34 -7.56 1 3 0 38 256.28 2 ↓
Lo Low (pH 4.5-6) 2.64 7.82 -34.9 2 3 1 39 257.288 2 ↓

Analogs

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Popular Name: 2-(benzimidazol-1-yl)-5-nitro-aniline 2-(benzimidazol-1-yl)-5-nitro-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) 2.35 7.98 -8.62 2 6 0 90 254.249 2 ↓
Lo Low (pH 4.5-6) 2.35 8.46 -39.46 3 6 1 91 255.257 2 ↓

Analogs

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Popular Name: 2-(5,6-dimethylbenzimidazol-1-yl)-5-nitro-aniline 2-(5,6-dimethylbenzimidazol-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) 3.15 9.2 -8.63 2 6 0 90 282.303 2 ↓
Lo Low (pH 4.5-6) 3.15 9.68 -39.14 3 6 1 91 283.311 2 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)benzimidazol-5-amine 1-(2-fluorophenyl)benzimidazol-5…

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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 7.2 -10.98 2 3 0 44 227.242 1 ↓
Mid Mid (pH 6-8) 2.15 7.67 -30.1 3 3 1 45 228.25 1 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-2-methyl-benzimidazol-5-amine 1-(2-fluorophenyl)-2-methyl-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) 2.24 7.03 -11.81 2 3 0 44 241.269 1 ↓
Mid Mid (pH 6-8) 2.24 7.47 -24.99 3 3 1 45 242.277 1 ↓

Analogs

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Popular Name: 2-ethyl-1-(2-fluorophenyl)benzimidazol-5-amine 2-ethyl-1-(2-fluorophenyl)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) 2.81 7.62 -11.65 2 3 0 44 255.296 2 ↓
Mid Mid (pH 6-8) 2.81 8.08 -23.65 3 3 1 45 256.304 2 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-2-propyl-benzimidazol-5-amine 1-(2-fluorophenyl)-2-propyl-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) 3.31 8.39 -11.47 2 3 0 44 269.323 3 ↓
Mid Mid (pH 6-8) 3.31 8.86 -23.59 3 3 1 45 270.331 3 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-2-isopropyl-benzimidazol-5-amine 1-(2-fluorophenyl)-2-isopropyl-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) 3.29 8.07 -11.49 2 3 0 44 269.323 2 ↓
Mid Mid (pH 6-8) 3.29 8.68 -22.5 3 3 1 45 270.331 2 ↓

Analogs

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Popular Name: 2-tert-butyl-1-(2-fluorophenyl)benzimidazol-5-amine 2-tert-butyl-1-(2-fluorophenyl)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) 3.96 8.19 -11.75 2 3 0 44 283.35 2 ↓
Mid Mid (pH 6-8) 3.96 8.57 -21.99 3 3 1 45 284.358 2 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(2-fluorophenyl)-2-(trifluorom…

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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 7.28 -11.12 2 3 0 44 295.239 2 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)benzimidazol-5-amine 1-(2,4-difluorophenyl)benzimidaz…

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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 7.26 -9.48 2 3 0 44 245.232 1 ↓
Mid Mid (pH 6-8) 2.29 7.74 -32.77 3 3 1 45 246.24 1 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-2-methyl-benzimidazol-5-amine 1-(2,4-difluorophenyl)-2-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 7.1 -9.8 2 3 0 44 259.259 1 ↓
Mid Mid (pH 6-8) 2.38 7.54 -26.7 3 3 1 45 260.267 1 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-2-ethyl-benzimidazol-5-amine 1-(2,4-difluorophenyl)-2-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) 2.95 7.69 -9.54 2 3 0 44 273.286 2 ↓
Mid Mid (pH 6-8) 2.95 8.15 -25.22 3 3 1 45 274.294 2 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-2-propyl-benzimidazol-5-amine 1-(2,4-difluorophenyl)-2-propyl-…

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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) 3.45 8.46 -9.37 2 3 0 44 287.313 3 ↓
Mid Mid (pH 6-8) 3.45 8.93 -25.14 3 3 1 45 288.321 3 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-2-isopropyl-benzimidazol-5-amine 1-(2,4-difluorophenyl)-2-isoprop…

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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 8.13 -9.21 2 3 0 44 287.313 2 ↓
Mid Mid (pH 6-8) 3.44 8.74 -23.86 3 3 1 45 288.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)benzimidazol-5-amine 1-(3,4-difluorophenyl)benzimidaz…

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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 7.13 -8.97 2 3 0 44 245.232 1 ↓
Mid Mid (pH 6-8) 2.29 7.61 -34.44 3 3 1 45 246.24 1 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-2-methyl-benzimidazol-5-amine 1-(3,4-difluorophenyl)-2-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 6.96 -8.93 2 3 0 44 259.259 1 ↓
Mid Mid (pH 6-8) 2.38 7.4 -29.23 3 3 1 45 260.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-2-ethyl-benzimidazol-5-amine 1-(3,4-difluorophenyl)-2-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) 2.95 7.58 -8.63 2 3 0 44 273.286 2 ↓
Mid Mid (pH 6-8) 2.95 8.01 -29.06 3 3 1 45 274.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-2-propyl-benzimidazol-5-amine 1-(3,4-difluorophenyl)-2-propyl-…

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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) 3.45 8.23 -8.55 2 3 0 44 287.313 3 ↓
Mid Mid (pH 6-8) 3.45 8.79 -29.1 3 3 1 45 288.321 3 ↓

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