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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(benzimidazol-1-yl)-1-cyclopropyl-N-methyl-ethanamine (1R)-2-(benzimidazol-1-yl)-1-cyc…

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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) 2.14 7.62 -43.16 2 3 1 34 216.308 4 ↓
Mid Mid (pH 6-8) 2.14 8.49 -99.35 3 3 2 36 217.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(benzimidazol-1-yl)-1-cyclopropyl-N-methyl-ethanamine (1S)-2-(benzimidazol-1-yl)-1-cyc…

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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) 2.14 7.69 -44.49 2 3 1 34 216.308 4 ↓
Mid Mid (pH 6-8) 2.14 8.17 -104.6 3 3 2 36 217.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(benzimidazol-1-yl)-1-cyclopropyl-ethanamine (1R)-2-(benzimidazol-1-yl)-1-cyc…

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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) 1.23 6.43 -47.78 3 3 1 45 202.281 3 ↓
Hi High (pH 8-9.5) 1.23 6.15 -8.35 2 3 0 44 201.273 3 ↓
Mid Mid (pH 6-8) 1.23 6.91 -102.42 4 3 2 47 203.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(benzimidazol-1-yl)-1-cyclopropyl-ethanamine (1S)-2-(benzimidazol-1-yl)-1-cyc…

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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) 1.23 6.44 -49.63 3 3 1 45 202.281 3 ↓
Hi High (pH 8-9.5) 1.23 6.18 -7.73 2 3 0 44 201.273 3 ↓
Mid Mid (pH 6-8) 1.23 6.92 -110.75 4 3 2 47 203.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-methylbenzimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(2-methylbe…

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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) 1.32 6.15 -48.59 3 3 1 45 216.308 3 ↓
Hi High (pH 8-9.5) 1.32 6.01 -9.11 2 3 0 44 215.3 3 ↓
Mid Mid (pH 6-8) 1.32 6.59 -102.57 4 3 2 47 217.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-methylbenzimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(2-methylbe…

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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) 1.32 6.38 -47.99 3 3 1 45 216.308 3 ↓
Hi High (pH 8-9.5) 1.32 6.06 -7.88 2 3 0 44 215.3 3 ↓
Mid Mid (pH 6-8) 1.32 6.82 -97.69 4 3 2 47 217.316 3 ↓

Analogs

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Popular Name: (1R)-2-(benzimidazol-1-yl)-1-cyclopropyl-ethanol (1R)-2-(benzimidazol-1-yl)-1-cyc…

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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 5.81 -10.58 1 3 0 38 202.257 3 ↓
Mid Mid (pH 6-8) 1.72 6.29 -33.41 2 3 1 39 203.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(benzimidazol-1-yl)-1-cyclopropyl-ethanol (1S)-2-(benzimidazol-1-yl)-1-cyc…

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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 6 -10.56 1 3 0 38 202.257 3 ↓
Mid Mid (pH 6-8) 1.72 6.48 -32.99 2 3 1 39 203.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-methylbenzimidazol-1-yl)ethanol (1R)-1-cyclopropyl-2-(2-methylbe…

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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) 1.81 5.75 -11.37 1 3 0 38 216.284 3 ↓
Mid Mid (pH 6-8) 1.81 6.19 -28.65 2 3 1 39 217.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-methylbenzimidazol-1-yl)ethanol (1S)-1-cyclopropyl-2-(2-methylbe…

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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) 1.81 5.8 -11.07 1 3 0 38 216.284 3 ↓
Mid Mid (pH 6-8) 1.81 6.24 -28.93 2 3 1 39 217.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(benzimidazol-1-yl)-1-cyclopropyl-N-ethyl-ethanamine (1R)-2-(benzimidazol-1-yl)-1-cyc…

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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 8.72 -41.59 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.52 8.92 -96.26 3 3 2 36 231.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(benzimidazol-1-yl)-1-cyclopropyl-N-ethyl-ethanamine (1S)-2-(benzimidazol-1-yl)-1-cyc…

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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 8.69 -43.62 2 3 1 34 230.335 5 ↓
Mid Mid (pH 6-8) 2.52 8.98 -103.03 3 3 2 36 231.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(benzimidazol-1-yl)-1-cyclopropyl-ethyl]propan-1-amine 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) 3.02 9.48 -42.21 2 3 1 34 244.362 6 ↓
Mid Mid (pH 6-8) 3.02 9.96 -98.24 3 3 2 36 245.37 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(benzimidazol-1-yl)-1-cyclopropyl-ethyl]propan-1-amine 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) 3.02 9.44 -44.46 2 3 1 34 244.362 6 ↓
Mid Mid (pH 6-8) 3.02 9.92 -105.95 3 3 2 36 245.37 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(2-methylbenzimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(2…

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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) 2.23 7.81 -43.73 2 3 1 34 230.335 4 ↓
Mid Mid (pH 6-8) 2.23 8.15 -96.36 3 3 2 36 231.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(2-methylbenzimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(2…

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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) 2.23 7.71 -42.75 2 3 1 34 230.335 4 ↓
Mid Mid (pH 6-8) 2.23 8.15 -91.9 3 3 2 36 231.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(2-…

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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 8.28 -41.14 2 3 1 34 244.362 5 ↓
Mid Mid (pH 6-8) 2.60 8.72 -90.74 3 3 2 36 245.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(2-…

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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 8.43 -42.36 2 3 1 34 244.362 5 ↓
Mid Mid (pH 6-8) 2.60 8.87 -95.66 3 3 2 36 245.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(2-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) 3.11 9.21 -42.33 2 3 1 34 258.389 6 ↓
Mid Mid (pH 6-8) 3.11 9.47 -91.97 3 3 2 36 259.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(2-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) 3.11 9.36 -44.06 2 3 1 34 258.389 6 ↓
Mid Mid (pH 6-8) 3.11 9.62 -97.33 3 3 2 36 259.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(5,6-dimeth…

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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 9.24 -51.5 2 3 1 34 244.362 4 ↓
Mid Mid (pH 6-8) 2.94 9.72 -100.09 3 3 2 36 245.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(5,6-dimeth…

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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 8.93 -44.44 2 3 1 34 244.362 4 ↓
Mid Mid (pH 6-8) 2.94 9.4 -105.66 3 3 2 36 245.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-(5,6-dimeth…

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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) 3.32 9.93 -41.58 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.32 10.14 -97.06 3 3 2 36 259.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-(5,6-dimeth…

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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) 3.32 9.9 -43.66 2 3 1 34 258.389 5 ↓
Mid Mid (pH 6-8) 3.32 10.19 -103.88 3 3 2 36 259.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)ethan-1-amine dihydrochloride 1-cyclopropyl-2-(5,6-dimethyl-1H…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 7.65 -47.59 3 3 1 45 230.335 3 ↓
Hi High (pH 8-9.5) 2.03 7.37 -8.66 2 3 0 44 229.327 3 ↓
Mid Mid (pH 6-8) 2.03 8.12 -103.25 4 3 2 47 231.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)ethan-1-amine dihydrochloride 1-cyclopropyl-2-(5,6-dimethyl-1H…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 7.67 -49.61 3 3 1 45 230.335 3 ↓
Hi High (pH 8-9.5) 2.03 7.41 -7.92 2 3 0 44 229.327 3 ↓
Mid Mid (pH 6-8) 2.03 8.14 -111.79 4 3 2 47 231.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-(5,6-dimethylbenzimidazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(5,6-dim…

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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) 3.82 10.69 -42.17 2 3 1 34 272.416 6 ↓
Mid Mid (pH 6-8) 3.82 11.17 -98.96 3 3 2 36 273.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-(5,6-dimethylbenzimidazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(5,6-dim…

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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) 3.82 10.65 -44.47 2 3 1 34 272.416 6 ↓
Mid Mid (pH 6-8) 3.82 11.13 -106.85 3 3 2 36 273.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-ethylbenzimidazol-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(2-ethylben…

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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) 2.80 8.32 -52.66 2 3 1 34 244.362 5 ↓
Mid Mid (pH 6-8) 2.80 8.5 -91.09 3 3 2 36 245.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-ethylbenzimidazol-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(2-ethylben…

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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) 2.80 8.31 -42.81 2 3 1 34 244.362 5 ↓
Mid Mid (pH 6-8) 2.80 8.62 -90.49 3 3 2 36 245.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-ethylbenzimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(2-…

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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 9.19 -41.13 2 3 1 34 258.389 6 ↓
Mid Mid (pH 6-8) 3.17 9.51 -90.54 3 3 2 36 259.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-ethylbenzimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(2-…

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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 9.13 -41.17 2 3 1 34 258.389 6 ↓
Mid Mid (pH 6-8) 3.17 9.43 -89.18 3 3 2 36 259.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(2-ethylbenzimidazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(2-ethylben…

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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) 1.89 6.74 -48.33 3 3 1 45 230.335 4 ↓
Hi High (pH 8-9.5) 1.89 6.61 -8.91 2 3 0 44 229.327 4 ↓
Mid Mid (pH 6-8) 1.89 7.23 -97.07 4 3 2 47 231.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(2-ethylbenzimidazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(2-ethylben…

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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) 1.89 6.99 -48.11 3 3 1 45 230.335 4 ↓
Hi High (pH 8-9.5) 1.89 6.68 -7.6 2 3 0 44 229.327 4 ↓
Mid Mid (pH 6-8) 1.89 7.27 -96.33 4 3 2 47 231.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-(2-ethylbenzimidazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(2-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) 3.68 10.13 -42.67 2 3 1 34 272.416 7 ↓
Mid Mid (pH 6-8) 3.68 10.34 -91.87 3 3 2 36 273.424 7 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(2-ethylbenzimidazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(2-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) 3.68 10.02 -42.59 2 3 1 34 272.416 7 ↓
Mid Mid (pH 6-8) 3.68 10.18 -90.66 3 3 2 36 273.424 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propanenitrile (2S)-2-cyclopropyl-3-(5,6-dimeth…

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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 8.87 -11.32 1 4 0 54 282.391 5 ↓
Mid Mid (pH 6-8) 3.17 9.35 -31.25 2 4 1 55 283.399 5 ↓
Lo Low (pH 4.5-6) 3.17 10.22 -104.33 3 4 2 59 284.407 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propanenitrile (2R)-2-cyclopropyl-3-(5,6-dimeth…

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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 8.06 -15.41 1 4 0 54 282.391 5 ↓
Mid Mid (pH 6-8) 3.17 8.55 -45.16 2 4 1 55 283.399 5 ↓
Lo Low (pH 4.5-6) 3.17 9.75 -114.78 3 4 2 59 284.407 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(5,6-dimethylbenzimidazol-1-yl)-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-(5,6-dimeth…

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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) 2.80 7.18 -12.88 1 4 0 54 268.364 4 ↓
Mid Mid (pH 6-8) 2.80 7.66 -40.87 2 4 1 55 269.372 4 ↓
Lo Low (pH 4.5-6) 2.80 8.95 -115.9 3 4 2 59 270.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(5,6-dimethylbenzimidazol-1-yl)-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-(5,6-dimeth…

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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) 2.80 7.73 -13.73 1 4 0 54 268.364 4 ↓
Mid Mid (pH 6-8) 2.80 8.22 -33.57 2 4 1 55 269.372 4 ↓
Lo Low (pH 4.5-6) 2.80 9.41 -105.74 3 4 2 59 270.38 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(5,6-dimethylbenzimidazol-1-yl)propanenitrile (2R)-2-amino-2-cyclopropyl-3-(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) 2.42 7.2 -13.44 2 4 0 68 254.337 3 ↓
Mid Mid (pH 6-8) 2.42 7.68 -34.8 3 4 1 69 255.345 3 ↓
Lo Low (pH 4.5-6) 2.42 7.98 -109.72 4 4 2 71 256.353 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(5,6-dimethylbenzimidazol-1-yl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(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) 2.42 6.87 -15.53 2 4 0 68 254.337 3 ↓
Mid Mid (pH 6-8) 2.42 7.35 -40.88 3 4 1 69 255.345 3 ↓
Lo Low (pH 4.5-6) 2.42 7.54 -127.84 4 4 2 71 256.353 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(isopropylamino)-3-(2-methylbenzimidazol-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(isopropyla…

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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) 2.76 7.04 -10.7 1 4 0 54 282.391 5 ↓
Mid Mid (pH 6-8) 2.76 7.48 -27.57 2 4 1 55 283.399 5 ↓
Lo Low (pH 4.5-6) 2.76 8.39 -97.92 3 4 2 59 284.407 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-(2-methylbenzimidazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(isopropyla…

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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) 2.76 7.44 -13.93 1 4 0 54 282.391 5 ↓
Mid Mid (pH 6-8) 2.76 7.88 -36.43 2 4 1 55 283.399 5 ↓
Lo Low (pH 4.5-6) 2.76 8.89 -96.02 3 4 2 59 284.407 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-(2-methylbenzimidazol-1-yl)-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-(2-methylbe…

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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) 2.96 8.14 -11.11 1 4 0 54 282.391 6 ↓
Mid Mid (pH 6-8) 2.96 8.58 -27.68 2 4 1 55 283.399 6 ↓
Lo Low (pH 4.5-6) 2.96 9.47 -100.35 3 4 2 59 284.407 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(2-methylbenzimidazol-1-yl)-2-(propylamino)propanenitrile (2R)-2-cyclopropyl-3-(2-methylbe…

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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) 2.96 7.21 -15.49 1 4 0 54 282.391 6 ↓
Mid Mid (pH 6-8) 2.96 7.64 -39.18 2 4 1 55 283.399 6 ↓
Lo Low (pH 4.5-6) 2.96 8.83 -108.26 3 4 2 59 284.407 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(2-methylbenzimidazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…

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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 7.37 -11.2 1 4 0 54 268.364 5 ↓
Mid Mid (pH 6-8) 2.46 7.81 -27.62 2 4 1 55 269.372 5 ↓
Lo Low (pH 4.5-6) 2.46 8.71 -98.82 3 4 2 59 270.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-(2-methylbenzimidazol-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(ethylamino…

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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 6.45 -15.49 1 4 0 54 268.364 5 ↓
Mid Mid (pH 6-8) 2.46 6.89 -38.98 2 4 1 55 269.372 5 ↓
Lo Low (pH 4.5-6) 2.46 8.08 -106.53 3 4 2 59 270.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(2-methylbenzimidazol-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(methylamin…

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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 5.67 -14.65 1 4 0 54 254.337 4 ↓
Mid Mid (pH 6-8) 2.08 5.94 -27.85 2 4 1 55 255.345 4 ↓
Lo Low (pH 4.5-6) 2.08 7.24 -101.12 3 4 2 59 256.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(2-methylbenzimidazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(methylamin…

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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 6.18 -11.5 1 4 0 54 254.337 4 ↓
Mid Mid (pH 6-8) 2.08 6.48 -36.33 2 4 1 55 255.345 4 ↓
Lo Low (pH 4.5-6) 2.08 7.67 -104.51 3 4 2 59 256.353 4 ↓

Parameters Provided:

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