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Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-5-amine 1-[(1S)-2-imidazol-1-yl-1-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) 0.59 7.11 -12.93 2 5 0 62 241.298 3 ↓
Mid Mid (pH 6-8) 0.59 7.59 -40.45 3 5 1 63 242.306 3 ↓
Mid Mid (pH 6-8) 0.59 7.62 -44.71 3 5 1 63 242.306 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-5-amine 1-[(1R)-2-imidazol-1-yl-1-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) 0.59 7.39 -12.95 2 5 0 62 241.298 3 ↓
Mid Mid (pH 6-8) 0.59 7.88 -40.54 3 5 1 63 242.306 3 ↓
Mid Mid (pH 6-8) 0.59 7.91 -43.96 3 5 1 63 242.306 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2-methyl-benzimidazol-5-amine 1-[(1S)-2-imidazol-1-yl-1-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) 0.68 6.84 -12.6 2 5 0 62 255.325 3 ↓
Mid Mid (pH 6-8) 0.68 7.79 -82.79 4 5 2 64 257.341 3 ↓
Mid Mid (pH 6-8) 0.68 7.35 -45.22 3 5 1 63 256.333 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2-methyl-benzimidazol-5-amine 1-[(1R)-2-imidazol-1-yl-1-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) 0.68 7.14 -12.68 2 5 0 62 255.325 3 ↓
Mid Mid (pH 6-8) 0.68 8.1 -84.5 4 5 2 64 257.341 3 ↓
Mid Mid (pH 6-8) 0.68 7.58 -34.24 3 5 1 63 256.333 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-2-imidazol-1-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 7.5 -12.2 2 5 0 62 269.352 4 ↓
Mid Mid (pH 6-8) 1.25 8.37 -82.04 4 5 2 64 271.368 4 ↓
Mid Mid (pH 6-8) 1.25 8.01 -45.43 3 5 1 63 270.36 4 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-2-imidazol-1-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 7.75 -12.27 2 5 0 62 269.352 4 ↓
Mid Mid (pH 6-8) 1.25 8.66 -82.74 4 5 2 64 271.368 4 ↓
Mid Mid (pH 6-8) 1.25 8.26 -45.11 3 5 1 63 270.36 4 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2-propyl-benzimidazol-5-amine 1-[(1S)-2-imidazol-1-yl-1-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) 1.76 8.21 -11.86 2 5 0 62 283.379 5 ↓
Mid Mid (pH 6-8) 1.76 9.15 -82.58 4 5 2 64 285.395 5 ↓
Mid Mid (pH 6-8) 1.76 8.64 -32.9 3 5 1 63 284.387 5 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2-propyl-benzimidazol-5-amine 1-[(1R)-2-imidazol-1-yl-1-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) 1.76 8.49 -11.98 2 5 0 62 283.379 5 ↓
Mid Mid (pH 6-8) 1.76 9.43 -83.19 4 5 2 64 285.395 5 ↓
Mid Mid (pH 6-8) 1.76 8.92 -32.63 3 5 1 63 284.387 5 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2-isopropyl-benzimidazol-5-amine 1-[(1S)-2-imidazol-1-yl-1-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) 1.74 7.89 -11.76 2 5 0 62 283.379 4 ↓
Mid Mid (pH 6-8) 1.74 8.98 -80.93 4 5 2 64 285.395 4 ↓
Mid Mid (pH 6-8) 1.74 8.47 -31.22 3 5 1 63 284.387 4 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2-isopropyl-benzimidazol-5-amine 1-[(1R)-2-imidazol-1-yl-1-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) 1.74 8.17 -11.77 2 5 0 62 283.379 4 ↓
Mid Mid (pH 6-8) 1.74 9.26 -81.93 4 5 2 64 285.395 4 ↓
Mid Mid (pH 6-8) 1.74 8.75 -31.09 3 5 1 63 284.387 4 ↓

Analogs

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Popular Name: 1-(2-imidazol-1-ylethyl)benzimidazol-5-amine 1-(2-imidazol-1-ylethyl)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) 0.23 7.19 -13.65 2 5 0 62 227.271 3 ↓
Mid Mid (pH 6-8) 0.23 7.71 -44.87 3 5 1 63 228.279 3 ↓
Mid Mid (pH 6-8) 0.23 7.68 -41.31 3 5 1 63 228.279 3 ↓

Analogs

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Popular Name: 1-(2-imidazol-1-ylethyl)-2-methyl-benzimidazol-5-amine 1-(2-imidazol-1-ylethyl)-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) 0.32 7 -13.85 2 5 0 62 241.298 3 ↓
Mid Mid (pH 6-8) 0.32 7.51 -46.16 3 5 1 63 242.306 3 ↓
Mid Mid (pH 6-8) 0.32 7.95 -86.91 4 5 2 64 243.314 3 ↓

Analogs

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Popular Name: 2-ethyl-1-(2-imidazol-1-ylethyl)benzimidazol-5-amine 2-ethyl-1-(2-imidazol-1-ylethyl)…

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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) 0.89 7.6 -13.38 2 5 0 62 255.325 4 ↓
Mid Mid (pH 6-8) 0.89 8.41 -84.99 4 5 2 64 257.341 4 ↓
Mid Mid (pH 6-8) 0.89 7.9 -34.36 3 5 1 63 256.333 4 ↓

Analogs

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Popular Name: 1-(2-imidazol-1-ylethyl)-2-propyl-benzimidazol-5-amine 1-(2-imidazol-1-ylethyl)-2-propy…

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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) 1.39 8.38 -13.06 2 5 0 62 269.352 5 ↓
Mid Mid (pH 6-8) 1.39 9.19 -85.57 4 5 2 64 271.368 5 ↓
Mid Mid (pH 6-8) 1.39 8.89 -46.27 3 5 1 63 270.36 5 ↓

Analogs

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Popular Name: 1-(2-imidazol-1-ylethyl)-2-isopropyl-benzimidazol-5-amine 1-(2-imidazol-1-ylethyl)-2-isopr…

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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) 1.38 8.03 -12.91 2 5 0 62 269.352 4 ↓
Mid Mid (pH 6-8) 1.38 9.01 -84.12 4 5 2 64 271.368 4 ↓
Mid Mid (pH 6-8) 1.38 8.54 -45.86 3 5 1 63 270.36 4 ↓

Analogs

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Popular Name: 2-tert-butyl-1-(2-imidazol-1-ylethyl)benzimidazol-5-amine 2-tert-butyl-1-(2-imidazol-1-yle…

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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) 2.04 8.2 -12.49 2 5 0 62 283.379 4 ↓
Mid Mid (pH 6-8) 2.04 9.1 -81.67 4 5 2 64 285.395 4 ↓
Mid Mid (pH 6-8) 2.04 8.71 -45.78 3 5 1 63 284.387 4 ↓

Analogs

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Popular Name: 1-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(2-imidazol-1-ylethyl)-2-(trif…

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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 7.21 -11.86 2 5 0 62 295.268 4 ↓
Mid Mid (pH 6-8) 1.23 7.72 -43.93 3 5 1 63 296.276 4 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 1-[(1S)-2-imidazol-1-yl-1-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) 1.35 9.27 -35.18 3 5 1 63 242.306 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 1-[(1R)-2-imidazol-1-yl-1-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) 1.35 9.55 -35.33 3 5 1 63 242.306 3 ↓

Analogs

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Popular Name: 5-chloro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 5-chloro-1-[(1S)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 9.31 -11.74 2 5 0 62 275.743 3 ↓
Mid Mid (pH 6-8) 2.00 9.78 -38.13 3 5 1 63 276.751 3 ↓
Mid Mid (pH 6-8) 2.00 9.82 -45.88 3 5 1 63 276.751 3 ↓

Analogs

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Popular Name: 5-chloro-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 5-chloro-1-[(1R)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 9.59 -11.82 2 5 0 62 275.743 3 ↓
Mid Mid (pH 6-8) 2.00 10.06 -38.24 3 5 1 63 276.751 3 ↓
Mid Mid (pH 6-8) 2.00 10.11 -45.34 3 5 1 63 276.751 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 5-fluoro-1-[(1S)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 8.87 -12.43 2 5 0 62 259.288 3 ↓
Mid Mid (pH 6-8) 1.49 9.38 -46.94 3 5 1 63 260.296 3 ↓
Mid Mid (pH 6-8) 1.49 9.34 -38.52 3 5 1 63 260.296 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 5-fluoro-1-[(1R)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 9.15 -12.53 2 5 0 62 259.288 3 ↓
Mid Mid (pH 6-8) 1.49 9.62 -38.65 3 5 1 63 260.296 3 ↓
Mid Mid (pH 6-8) 1.49 9.67 -46.48 3 5 1 63 260.296 3 ↓

Analogs

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Popular Name: 7-chloro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 7-chloro-1-[(1S)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 9.13 -10.83 2 5 0 62 275.743 3 ↓
Mid Mid (pH 6-8) 1.98 9.65 -41.41 3 5 1 63 276.751 3 ↓
Mid Mid (pH 6-8) 1.98 9.6 -37.12 3 5 1 63 276.751 3 ↓

Analogs

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Popular Name: 7-chloro-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 7-chloro-1-[(1R)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 9.42 -11.02 2 5 0 62 275.743 3 ↓
Mid Mid (pH 6-8) 1.98 9.93 -39.26 3 5 1 63 276.751 3 ↓
Mid Mid (pH 6-8) 1.98 9.89 -37.39 3 5 1 63 276.751 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-benzimidazol-2-amine 1-[(1S)-2-imidazol-1-yl-1-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) 1.77 9.94 -35.05 3 5 1 63 256.333 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-benzimidazol-2-amine 1-[(1R)-2-imidazol-1-yl-1-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) 1.77 10.22 -35.15 3 5 1 63 256.333 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 4-fluoro-1-[(1S)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 8.87 -14.66 2 5 0 62 259.288 3 ↓
Mid Mid (pH 6-8) 1.46 9.38 -48.75 3 5 1 63 260.296 3 ↓
Lo Low (pH 4.5-6) 1.46 9.85 -88.7 4 5 2 64 261.304 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazol-2-amine 4-fluoro-1-[(1R)-2-imidazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 9.15 -14.78 2 5 0 62 259.288 3 ↓
Mid Mid (pH 6-8) 1.46 9.66 -48.45 3 5 1 63 260.296 3 ↓
Lo Low (pH 4.5-6) 1.46 10.13 -88.07 4 5 2 64 261.304 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-(chloromethyl)-1-[(1S)-2-imida…

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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) 2.22 9.46 -10.81 0 4 0 36 274.755 4 ↓
Mid Mid (pH 6-8) 2.22 9.97 -43.13 1 4 1 37 275.763 4 ↓
Lo Low (pH 4.5-6) 2.22 10.41 -83.09 2 4 2 38 276.771 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-(chloromethyl)-1-[(1R)-2-imida…

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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) 2.22 9.75 -11.9 0 4 0 36 274.755 4 ↓
Mid Mid (pH 6-8) 2.22 10.26 -45.16 1 4 1 37 275.763 4 ↓
Lo Low (pH 4.5-6) 2.22 10.7 -87 2 4 2 38 276.771 4 ↓

Analogs

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Popular Name: 5-chloro-2-(chloromethyl)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-(chloromethyl)-1-[(1S…

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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) 2.88 9.97 -10.7 0 4 0 36 309.2 4 ↓
Mid Mid (pH 6-8) 2.88 10.48 -44.97 1 4 1 37 310.208 4 ↓
Lo Low (pH 4.5-6) 2.88 10.92 -88.29 2 4 2 38 311.216 4 ↓

Analogs

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Popular Name: 5-chloro-2-(chloromethyl)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-(chloromethyl)-1-[(1R…

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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) 2.88 10.26 -11.91 0 4 0 36 309.2 4 ↓
Mid Mid (pH 6-8) 2.88 10.78 -46.99 1 4 1 37 310.208 4 ↓
Lo Low (pH 4.5-6) 2.88 11.22 -92.13 2 4 2 38 311.216 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-fluoro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-(chloromethyl)-5-fluoro-1-[(1S…

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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) 2.36 9.53 -11.45 0 4 0 36 292.745 4 ↓
Mid Mid (pH 6-8) 2.36 10.04 -46.16 1 4 1 37 293.753 4 ↓
Lo Low (pH 4.5-6) 2.36 10.48 -88.74 2 4 2 38 294.761 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-fluoro-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-(chloromethyl)-5-fluoro-1-[(1R…

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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) 2.36 9.83 -12.64 0 4 0 36 292.745 4 ↓
Mid Mid (pH 6-8) 2.36 10.34 -48.1 1 4 1 37 293.753 4 ↓
Lo Low (pH 4.5-6) 2.36 10.77 -92.53 2 4 2 38 294.761 4 ↓

Analogs

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Popular Name: 7-chloro-2-(chloromethyl)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 7-chloro-2-(chloromethyl)-1-[(1S…

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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 9.6 -10.56 0 4 0 36 309.2 4 ↓
Mid Mid (pH 6-8) 2.85 10.12 -41.4 1 4 1 37 310.208 4 ↓
Lo Low (pH 4.5-6) 2.85 10.55 -85.47 2 4 2 38 311.216 4 ↓

Analogs

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Popular Name: 7-chloro-2-(chloromethyl)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 7-chloro-2-(chloromethyl)-1-[(1R…

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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 9.91 -10.27 0 4 0 36 309.2 4 ↓
Mid Mid (pH 6-8) 2.85 10.42 -38.03 1 4 1 37 310.208 4 ↓
Lo Low (pH 4.5-6) 2.85 10.86 -81.28 2 4 2 38 311.216 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-benzimidazole 2-(chloromethyl)-1-[(1S)-2-imida…

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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) 2.65 10.17 -11.88 0 4 0 36 288.782 4 ↓
Mid Mid (pH 6-8) 2.65 10.68 -45.39 1 4 1 37 289.79 4 ↓
Lo Low (pH 4.5-6) 2.65 11.12 -85.89 2 4 2 38 290.798 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-benzimidazole 2-(chloromethyl)-1-[(1R)-2-imida…

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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) 2.65 10.4 -11.13 0 4 0 36 288.782 4 ↓
Mid Mid (pH 6-8) 2.65 10.91 -42.51 1 4 1 37 289.79 4 ↓
Lo Low (pH 4.5-6) 2.65 11.35 -83.81 2 4 2 38 290.798 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-[(1R)-1-chloroethyl]-…

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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) 3.24 10.52 -12.18 0 4 0 36 323.227 4 ↓
Mid Mid (pH 6-8) 3.24 11.03 -48.57 1 4 1 37 324.235 4 ↓
Lo Low (pH 4.5-6) 3.24 11.21 -85.02 2 4 2 38 325.243 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-[(1R)-1-chloroethyl]-…

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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) 3.24 10.8 -11.7 0 4 0 36 323.227 4 ↓
Mid Mid (pH 6-8) 3.24 11.31 -46.95 1 4 1 37 324.235 4 ↓
Lo Low (pH 4.5-6) 3.24 11.51 -87.55 2 4 2 38 325.243 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-[(1S)-1-chloroethyl]-…

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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) 3.24 10.52 -11.68 0 4 0 36 323.227 4 ↓
Mid Mid (pH 6-8) 3.24 11.03 -47.66 1 4 1 37 324.235 4 ↓
Lo Low (pH 4.5-6) 3.24 11.52 -89.01 2 4 2 38 325.243 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-[(1S)-1-chloroethyl]-…

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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) 3.24 10.8 -12.17 0 4 0 36 323.227 4 ↓
Mid Mid (pH 6-8) 3.24 11.31 -48.66 1 4 1 37 324.235 4 ↓
Lo Low (pH 4.5-6) 3.24 11.8 -91.23 2 4 2 38 325.243 4 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-(2-chloroethyl)-1-[(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) 3.09 10.71 -11 0 4 0 36 323.227 5 ↓
Mid Mid (pH 6-8) 3.09 11.22 -46.53 1 4 1 37 324.235 5 ↓
Lo Low (pH 4.5-6) 3.09 11.66 -91.53 2 4 2 38 325.243 5 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 5-chloro-2-(2-chloroethyl)-1-[(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) 3.09 10.99 -10.98 0 4 0 36 323.227 5 ↓
Mid Mid (pH 6-8) 3.09 11.51 -45.64 1 4 1 37 324.235 5 ↓
Lo Low (pH 4.5-6) 3.09 11.94 -92.53 2 4 2 38 325.243 5 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-5-fluoro-…

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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) 2.73 10.08 -12.98 0 4 0 36 306.772 4 ↓
Mid Mid (pH 6-8) 2.73 10.59 -49.88 1 4 1 37 307.78 4 ↓
Lo Low (pH 4.5-6) 2.73 10.77 -85.54 2 4 2 38 308.788 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-5-fluoro-…

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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) 2.73 10.36 -12.44 0 4 0 36 306.772 4 ↓
Mid Mid (pH 6-8) 2.73 10.87 -48.11 1 4 1 37 307.78 4 ↓
Lo Low (pH 4.5-6) 2.73 11.06 -87.98 2 4 2 38 308.788 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-5-fluoro-…

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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) 2.73 10.08 -12.45 0 4 0 36 306.772 4 ↓
Mid Mid (pH 6-8) 2.73 10.59 -48.89 1 4 1 37 307.78 4 ↓
Lo Low (pH 4.5-6) 2.73 11.08 -89.64 2 4 2 38 308.788 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-5-fluoro-…

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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) 2.73 10.36 -12.96 0 4 0 36 306.772 4 ↓
Mid Mid (pH 6-8) 2.73 10.87 -49.83 1 4 1 37 307.78 4 ↓
Lo Low (pH 4.5-6) 2.73 11.36 -91.75 2 4 2 38 308.788 4 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-fluoro-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]benzimidazole 2-(2-chloroethyl)-5-fluoro-1-[(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) 2.57 10.27 -11.8 0 4 0 36 306.772 5 ↓
Mid Mid (pH 6-8) 2.57 10.78 -47.77 1 4 1 37 307.78 5 ↓
Lo Low (pH 4.5-6) 2.57 11.22 -92 2 4 2 38 308.788 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 28459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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