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Popular Name: 2-[(3S)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 2-[(3S)-3-methylpyrrolidin-3-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) 2.05 4.45 -43.17 3 3 1 45 202.281 1 ↓
Lo Low (pH 4.5-6) 2.05 4.78 -95.1 4 3 2 47 203.289 1 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 2-[(3R)-3-methylpyrrolidin-3-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) 2.05 4.59 -41.23 3 3 1 45 202.281 1 ↓
Lo Low (pH 4.5-6) 2.05 4.86 -95.66 4 3 2 47 203.289 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethylpyrrolidin-3-yl]-1H-benzimidazole 2-[(3S)-3-ethylpyrrolidin-3-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) 2.37 5.16 -43.9 3 3 1 45 216.308 2 ↓
Lo Low (pH 4.5-6) 2.37 5 -95.68 4 3 2 47 217.316 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethylpyrrolidin-3-yl]-1H-benzimidazole 2-[(3R)-3-ethylpyrrolidin-3-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) 2.37 4.87 -41.91 3 3 1 45 216.308 2 ↓
Lo Low (pH 4.5-6) 2.37 5.12 -95.93 4 3 2 47 217.316 2 ↓

Analogs

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Popular Name: 2-[(3S)-3-propylpyrrolidin-3-yl]-1H-benzimidazole 2-[(3S)-3-propylpyrrolidin-3-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) 2.93 5.92 -44.38 3 3 1 45 230.335 3 ↓
Lo Low (pH 4.5-6) 2.93 5.76 -97.38 4 3 2 47 231.343 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-propylpyrrolidin-3-yl]-1H-benzimidazole 2-[(3R)-3-propylpyrrolidin-3-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) 2.93 5.64 -42.31 3 3 1 45 230.335 3 ↓
Lo Low (pH 4.5-6) 2.93 5.92 -97.44 4 3 2 47 231.343 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 5-chloro-2-[(3S)-3-methylpyrroli…

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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) 2.70 4.96 -44.34 3 3 1 45 236.726 1 ↓
Lo Low (pH 4.5-6) 2.70 5.27 -100.07 4 3 2 47 237.734 1 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 5-chloro-2-[(3R)-3-methylpyrroli…

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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) 2.70 5.1 -42.31 3 3 1 45 236.726 1 ↓
Lo Low (pH 4.5-6) 2.70 5.37 -100.36 4 3 2 47 237.734 1 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-ethylpyrrolidin-3-yl]-1H-benzimidazole 5-chloro-2-[(3S)-3-ethylpyrrolid…

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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 5.67 -44.99 3 3 1 45 250.753 2 ↓
Lo Low (pH 4.5-6) 3.02 5.48 -100.56 4 3 2 47 251.761 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-ethylpyrrolidin-3-yl]-1H-benzimidazole 5-chloro-2-[(3R)-3-ethylpyrrolid…

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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 5.39 -43.06 3 3 1 45 250.753 2 ↓
Lo Low (pH 4.5-6) 3.02 5.63 -100.74 4 3 2 47 251.761 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-propylpyrrolidin-3-yl]-1H-benzimidazole 5-chloro-2-[(3S)-3-propylpyrroli…

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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) 3.58 6.43 -45.53 3 3 1 45 264.78 3 ↓
Lo Low (pH 4.5-6) 3.58 6.24 -102.41 4 3 2 47 265.788 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-propylpyrrolidin-3-yl]-1H-benzimidazole 5-chloro-2-[(3R)-3-propylpyrroli…

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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) 3.58 6.15 -43.45 3 3 1 45 264.78 3 ↓
Lo Low (pH 4.5-6) 3.58 6.39 -102.59 4 3 2 47 265.788 3 ↓

Analogs

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Popular Name: 1-methyl-2-[(3S)-3-methylpyrrolidin-3-yl]benzimidazole 1-methyl-2-[(3S)-3-methylpyrroli…

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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) 2.12 5.79 -44.04 2 3 1 34 216.308 1 ↓
Lo Low (pH 4.5-6) 2.12 5.91 -94.44 3 3 2 36 217.316 1 ↓

Analogs

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Popular Name: 1-methyl-2-[(3R)-3-methylpyrrolidin-3-yl]benzimidazole 1-methyl-2-[(3R)-3-methylpyrroli…

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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) 2.12 5.83 -46.51 2 3 1 34 216.308 1 ↓
Lo Low (pH 4.5-6) 2.12 6.23 -94.74 3 3 2 36 217.316 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethylpyrrolidin-3-yl]-1-methyl-benzimidazole 2-[(3S)-3-ethylpyrrolidin-3-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) 2.44 6.09 -49.45 2 3 1 34 230.335 2 ↓
Lo Low (pH 4.5-6) 2.44 6.58 -95.29 3 3 2 36 231.343 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethylpyrrolidin-3-yl]-1-methyl-benzimidazole 2-[(3R)-3-ethylpyrrolidin-3-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) 2.44 5.99 -47.85 2 3 1 34 230.335 2 ↓
Lo Low (pH 4.5-6) 2.44 6.32 -94.89 3 3 2 36 231.343 2 ↓

Analogs

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Popular Name: 1-methyl-2-[(3S)-3-propylpyrrolidin-3-yl]benzimidazole 1-methyl-2-[(3S)-3-propylpyrroli…

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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) 3.00 6.86 -49.69 2 3 1 34 244.362 3 ↓
Lo Low (pH 4.5-6) 3.00 7.33 -96.7 3 3 2 36 245.37 3 ↓

Analogs

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Popular Name: 1-methyl-2-[(3R)-3-propylpyrrolidin-3-yl]benzimidazole 1-methyl-2-[(3R)-3-propylpyrroli…

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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) 3.00 6.76 -48.13 2 3 1 34 244.362 3 ↓
Lo Low (pH 4.5-6) 3.00 7.07 -96.31 3 3 2 36 245.37 3 ↓

Analogs

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Popular Name: 1-ethyl-2-[(3R)-3-methylpyrrolidin-3-yl]benzimidazole 1-ethyl-2-[(3R)-3-methylpyrrolid…

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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 6.63 -42.92 2 3 1 34 230.335 2 ↓
Lo Low (pH 4.5-6) 2.49 6.95 -94.18 3 3 2 36 231.343 2 ↓

Analogs

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Popular Name: 1-ethyl-2-[(3S)-3-methylpyrrolidin-3-yl]benzimidazole 1-ethyl-2-[(3S)-3-methylpyrrolid…

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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 6.56 -44.19 2 3 1 34 230.335 2 ↓
Lo Low (pH 4.5-6) 2.49 6.89 -94.28 3 3 2 36 231.343 2 ↓

Analogs

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Popular Name: 1-ethyl-2-[(3S)-3-ethylpyrrolidin-3-yl]benzimidazole 1-ethyl-2-[(3S)-3-ethylpyrrolidi…

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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 6.74 -49.02 2 3 1 34 244.362 3 ↓
Mid Mid (pH 6-8) 2.81 7.31 -94.48 3 3 2 36 245.37 3 ↓

Analogs

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Popular Name: 1-ethyl-2-[(3R)-3-ethylpyrrolidin-3-yl]benzimidazole 1-ethyl-2-[(3R)-3-ethylpyrrolidi…

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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 6.65 -47.9 2 3 1 34 244.362 3 ↓
Mid Mid (pH 6-8) 2.81 7.67 -93.28 3 3 2 36 245.37 3 ↓

Analogs

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Popular Name: 1-ethyl-2-[(3S)-3-propylpyrrolidin-3-yl]benzimidazole 1-ethyl-2-[(3S)-3-propylpyrrolid…

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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 7.53 -49.3 2 3 1 34 258.389 4 ↓
Mid Mid (pH 6-8) 3.37 8.07 -95.83 3 3 2 36 259.397 4 ↓

Analogs

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Popular Name: 1-ethyl-2-[(3R)-3-propylpyrrolidin-3-yl]benzimidazole 1-ethyl-2-[(3R)-3-propylpyrrolid…

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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 7.42 -48.43 2 3 1 34 258.389 4 ↓
Mid Mid (pH 6-8) 3.37 8.45 -94.55 3 3 2 36 259.397 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-3-yl]-1-propyl-benzimidazole 2-[(3R)-3-methylpyrrolidin-3-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) 2.99 7.39 -42.9 2 3 1 34 244.362 3 ↓
Lo Low (pH 4.5-6) 2.99 7.7 -94.79 3 3 2 36 245.37 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-3-yl]-1-propyl-benzimidazole 2-[(3S)-3-methylpyrrolidin-3-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) 2.99 7.29 -44.11 2 3 1 34 244.362 3 ↓
Lo Low (pH 4.5-6) 2.99 7.64 -94.86 3 3 2 36 245.37 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethylpyrrolidin-3-yl]-1-propyl-benzimidazole 2-[(3R)-3-ethylpyrrolidin-3-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) 3.32 7.49 -48.08 2 3 1 34 258.389 4 ↓
Lo Low (pH 4.5-6) 3.32 8.04 -94.73 3 3 2 36 259.397 4 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethylpyrrolidin-3-yl]-1-propyl-benzimidazole 2-[(3S)-3-ethylpyrrolidin-3-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) 3.32 7.46 -49.08 2 3 1 34 258.389 4 ↓
Lo Low (pH 4.5-6) 3.32 8.31 -93.79 3 3 2 36 259.397 4 ↓

Analogs

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Popular Name: 1-propyl-2-[(3S)-3-propylpyrrolidin-3-yl]benzimidazole 1-propyl-2-[(3S)-3-propylpyrroli…

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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) 3.88 8.29 -49.3 2 3 1 34 272.416 5 ↓
Lo Low (pH 4.5-6) 3.88 9.07 -95.28 3 3 2 36 273.424 5 ↓

Analogs

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Popular Name: 1-propyl-2-[(3R)-3-propylpyrrolidin-3-yl]benzimidazole 1-propyl-2-[(3R)-3-propylpyrroli…

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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) 3.88 8.18 -48.23 2 3 1 34 272.416 5 ↓
Lo Low (pH 4.5-6) 3.88 8.78 -97.08 3 3 2 36 273.424 5 ↓

Analogs

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Popular Name: 1-isopropyl-2-[(3R)-3-methylpyrrolidin-3-yl]benzimidazole 1-isopropyl-2-[(3R)-3-methylpyrr…

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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) 2.85 6.96 -46.53 2 3 1 34 244.362 2 ↓
Lo Low (pH 4.5-6) 2.85 7.39 -94.15 3 3 2 36 245.37 2 ↓

Analogs

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Popular Name: 1-isopropyl-2-[(3S)-3-methylpyrrolidin-3-yl]benzimidazole 1-isopropyl-2-[(3S)-3-methylpyrr…

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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) 2.85 6.98 -47.84 2 3 1 34 244.362 2 ↓
Lo Low (pH 4.5-6) 2.85 7.25 -94.02 3 3 2 36 245.37 2 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethylpyrrolidin-3-yl]-1-isopropyl-benzimidazole 2-[(3S)-3-ethylpyrrolidin-3-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) 3.18 7.27 -48.86 2 3 1 34 258.389 3 ↓
Mid Mid (pH 6-8) 3.18 7.72 -91.95 3 3 2 36 259.397 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethylpyrrolidin-3-yl]-1-isopropyl-benzimidazole 2-[(3R)-3-ethylpyrrolidin-3-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) 3.18 7.14 -47.71 2 3 1 34 258.389 3 ↓
Mid Mid (pH 6-8) 3.18 7.72 -92.46 3 3 2 36 259.397 3 ↓

Analogs

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Popular Name: 1-isopropyl-2-[(3S)-3-propylpyrrolidin-3-yl]benzimidazole 1-isopropyl-2-[(3S)-3-propylpyrr…

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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) 3.74 8.04 -49.23 2 3 1 34 272.416 4 ↓
Mid Mid (pH 6-8) 3.74 8.49 -93.86 3 3 2 36 273.424 4 ↓

Analogs

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Popular Name: 1-isopropyl-2-[(3R)-3-propylpyrrolidin-3-yl]benzimidazole 1-isopropyl-2-[(3R)-3-propylpyrr…

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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) 3.74 7.92 -48.01 2 3 1 34 272.416 4 ↓
Mid Mid (pH 6-8) 3.74 8.45 -94.41 3 3 2 36 273.424 4 ↓

Analogs

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Popular Name: 1-tert-butyl-2-[(3S)-3-methylpyrrolidin-3-yl]benzimidazole 1-tert-butyl-2-[(3S)-3-methylpyr…

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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) 3.30 6.79 -44.83 2 3 1 34 258.389 2 ↓
Mid Mid (pH 6-8) 3.30 6.66 -92.06 3 3 2 36 259.397 2 ↓

Analogs

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Popular Name: 1-tert-butyl-2-[(3R)-3-methylpyrrolidin-3-yl]benzimidazole 1-tert-butyl-2-[(3R)-3-methylpyr…

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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) 3.30 6.74 -43.02 2 3 1 34 258.389 2 ↓
Mid Mid (pH 6-8) 3.30 7.2 -96.11 3 3 2 36 259.397 2 ↓

Analogs

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Popular Name: 1-tert-butyl-2-[(3S)-3-ethylpyrrolidin-3-yl]benzimidazole 1-tert-butyl-2-[(3S)-3-ethylpyrr…

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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) 3.62 6.92 -47.85 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.62 7.35 -90.89 3 3 2 36 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(3R)-3-ethylpyrrolidin-3-yl]benzimidazole 1-tert-butyl-2-[(3R)-3-ethylpyrr…

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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) 3.62 7.02 -46.99 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.62 7.59 -94.95 3 3 2 36 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(3S)-3-propylpyrrolidin-3-yl]benzimidazole 1-tert-butyl-2-[(3S)-3-propylpyr…

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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) 4.18 7.61 -48.17 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 4.18 8.11 -92.64 3 3 2 36 287.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-2-[(3R)-3-propylpyrrolidin-3-yl]benzimidazole 1-tert-butyl-2-[(3R)-3-propylpyr…

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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) 4.18 7.71 -47.35 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 4.18 8.34 -96.73 3 3 2 36 287.451 4 ↓

Analogs

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Popular Name: 6-methyl-2-[(3R)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 6-methyl-2-[(3R)-3-methylpyrroli…

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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 5.26 -41.07 3 3 1 45 216.308 1 ↓
Lo Low (pH 4.5-6) 2.47 5.46 -96.53 4 3 2 47 217.316 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[(3S)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 6-methyl-2-[(3S)-3-methylpyrroli…

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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 5.1 -43.09 3 3 1 45 216.308 1 ↓
Lo Low (pH 4.5-6) 2.47 5.41 -95.82 4 3 2 47 217.316 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole 2-[(3S)-3-ethylpyrrolidin-3-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) 2.80 5.82 -43.82 3 3 1 45 230.335 2 ↓
Lo Low (pH 4.5-6) 2.80 5.72 -96.66 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethylpyrrolidin-3-yl]-6-methyl-1H-benzimidazole 2-[(3R)-3-ethylpyrrolidin-3-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) 2.80 5.54 -41.87 3 3 1 45 230.335 2 ↓
Lo Low (pH 4.5-6) 2.80 5.76 -96.46 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[(3S)-3-propylpyrrolidin-3-yl]-1H-benzimidazole 6-methyl-2-[(3S)-3-propylpyrroli…

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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) 3.35 6.58 -44.3 3 3 1 45 244.362 3 ↓
Lo Low (pH 4.5-6) 3.35 6.48 -98.21 4 3 2 47 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[(3R)-3-propylpyrrolidin-3-yl]-1H-benzimidazole 6-methyl-2-[(3R)-3-propylpyrroli…

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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) 3.35 6.3 -42.31 3 3 1 45 244.362 3 ↓
Lo Low (pH 4.5-6) 3.35 6.54 -97.93 4 3 2 47 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-difluoro-2-[(3S)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 5,6-difluoro-2-[(3S)-3-methylpyr…

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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) 2.28 4.57 -46.8 3 3 1 45 238.261 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-difluoro-2-[(3R)-3-methylpyrrolidin-3-yl]-1H-benzimidazole 5,6-difluoro-2-[(3R)-3-methylpyr…

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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) 2.28 4.71 -45.03 3 3 1 45 238.261 1 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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