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Analogs

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Popular Name: 1-[2-(3-pyridyl)ethyl]benzimidazol-5-amine 1-[2-(3-pyridyl)ethyl]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) 1.12 6.59 -11.74 2 4 0 57 238.294 3 ↓
Mid Mid (pH 6-8) 1.12 7.08 -36.18 3 4 1 58 239.302 3 ↓
Lo Low (pH 4.5-6) 1.12 7.55 -87.79 4 4 2 59 240.31 3 ↓

Analogs

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Popular Name: 2-methyl-1-[2-(3-pyridyl)ethyl]benzimidazol-5-amine 2-methyl-1-[2-(3-pyridyl)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) 1.20 6.4 -12.06 2 4 0 57 252.321 3 ↓
Mid Mid (pH 6-8) 1.20 6.84 -31.35 3 4 1 58 253.329 3 ↓
Lo Low (pH 4.5-6) 1.20 7.31 -83.46 4 4 2 59 254.337 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[2-(3-pyridyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(3-pyridyl)ethyl]be…

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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) 1.78 7 -11.69 2 4 0 57 266.348 4 ↓
Mid Mid (pH 6-8) 1.78 7.3 -29.85 3 4 1 58 267.356 4 ↓
Lo Low (pH 4.5-6) 1.78 7.77 -81.88 4 4 2 59 268.364 4 ↓

Analogs

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Popular Name: 2-propyl-1-[2-(3-pyridyl)ethyl]benzimidazol-5-amine 2-propyl-1-[2-(3-pyridyl)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) 2.28 7.78 -11.38 2 4 0 57 280.375 5 ↓
Mid Mid (pH 6-8) 2.28 8.08 -29.89 3 4 1 58 281.383 5 ↓
Lo Low (pH 4.5-6) 2.28 8.54 -82.3 4 4 2 59 282.391 5 ↓

Analogs

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Popular Name: 2-isopropyl-1-[2-(3-pyridyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[2-(3-pyridyl)ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.43 -11.31 2 4 0 57 280.375 4 ↓
Mid Mid (pH 6-8) 2.26 7.89 -28.47 3 4 1 58 281.383 4 ↓
Lo Low (pH 4.5-6) 2.26 8.36 -80.96 4 4 2 59 282.391 4 ↓

Analogs

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Popular Name: 1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 1-[2-(3-pyridyl)ethyl]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) 1.87 8.68 -32.91 3 4 1 58 239.302 3 ↓

Analogs

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Popular Name: 5-chloro-1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 5-chloro-1-[2-(3-pyridyl)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) 2.52 8.72 -11.16 2 4 0 57 272.739 3 ↓
Mid Mid (pH 6-8) 2.52 9.19 -35.91 3 4 1 58 273.747 3 ↓
Lo Low (pH 4.5-6) 2.52 9.66 -87.27 4 4 2 59 274.755 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 5-fluoro-1-[2-(3-pyridyl)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) 2.01 8.75 -36.35 3 4 1 58 257.292 3 ↓

Analogs

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Popular Name: 5-bromo-1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 5-bromo-1-[2-(3-pyridyl)ethyl]be…

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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 8.82 -11.06 2 4 0 57 317.19 3 ↓
Mid Mid (pH 6-8) 2.65 9.29 -36.07 3 4 1 58 318.198 3 ↓
Lo Low (pH 4.5-6) 2.65 9.76 -87.61 4 4 2 59 319.206 3 ↓

Analogs

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Popular Name: 7-chloro-1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 7-chloro-1-[2-(3-pyridyl)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) 2.50 8.52 -10.58 2 4 0 57 272.739 3 ↓
Mid Mid (pH 6-8) 2.50 8.99 -35.08 3 4 1 58 273.747 3 ↓
Lo Low (pH 4.5-6) 2.50 9.46 -79.69 4 4 2 59 274.755 3 ↓

Analogs

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Popular Name: 5-methyl-1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 5-methyl-1-[2-(3-pyridyl)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) 2.29 9.35 -32.78 3 4 1 58 253.329 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 4-fluoro-1-[2-(3-pyridyl)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) 1.98 8.28 -14.2 2 4 0 57 256.284 3 ↓
Mid Mid (pH 6-8) 1.98 8.75 -34.36 3 4 1 58 257.292 3 ↓
Lo Low (pH 4.5-6) 1.98 9.21 -86.5 4 4 2 59 258.3 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(chloromethyl)-1-[2-(3-pyridyl…

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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) 2.75 9.02 -10.96 0 3 0 31 271.751 4 ↓
Lo Low (pH 4.5-6) 2.75 9.46 -33.53 1 3 1 32 272.759 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(chloromethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 5-chloro-2-(chloromethyl)-1-[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) 3.40 9.53 -10.7 0 3 0 31 306.196 4 ↓
Lo Low (pH 4.5-6) 3.40 9.97 -36.4 1 3 1 32 307.204 4 ↓
Lo Low (pH 4.5-6) 3.40 10 -46.92 1 3 1 32 307.204 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(chloromethyl)-5-fluoro-1-[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) 2.89 9.09 -11.42 0 3 0 31 289.741 4 ↓
Lo Low (pH 4.5-6) 2.89 9.53 -36.85 1 3 1 32 290.749 4 ↓

Analogs

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Popular Name: 5-bromo-2-(chloromethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 5-bromo-2-(chloromethyl)-1-[2-(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) 3.53 9.64 -10.56 0 3 0 31 350.647 4 ↓
Lo Low (pH 4.5-6) 3.53 10.1 -46.73 1 3 1 32 351.655 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(chloromethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 7-chloro-2-(chloromethyl)-1-[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) 3.38 9.28 -9.6 0 3 0 31 306.196 4 ↓
Lo Low (pH 4.5-6) 3.38 9.72 -34.47 1 3 1 32 307.204 4 ↓
Lo Low (pH 4.5-6) 3.38 9.75 -39.26 1 3 1 32 307.204 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-5-methyl-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(chloromethyl)-5-methyl-1-[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 9.69 -11.01 0 3 0 31 285.778 4 ↓
Lo Low (pH 4.5-6) 3.17 10.13 -33.35 1 3 1 32 286.786 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[2-(3-pyridyl)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) 3.76 10.04 -11.2 0 3 0 31 320.223 4 ↓
Lo Low (pH 4.5-6) 3.76 10.44 -33.24 1 3 1 32 321.231 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[2-(3-pyridyl)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) 3.76 10.09 -11.03 0 3 0 31 320.223 4 ↓
Lo Low (pH 4.5-6) 3.76 10.57 -33.02 1 3 1 32 321.231 4 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 5-chloro-2-(2-chloroethyl)-1-[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) 3.61 10.28 -9.96 0 3 0 31 320.223 5 ↓
Lo Low (pH 4.5-6) 3.61 10.58 -37.08 1 3 1 32 321.231 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[2-(3-pyridyl)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) 3.25 9.6 -11.97 0 3 0 31 303.768 4 ↓
Lo Low (pH 4.5-6) 3.25 10 -33.81 1 3 1 32 304.776 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[2-(3-pyridyl)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) 3.25 9.64 -11.8 0 3 0 31 303.768 4 ↓
Lo Low (pH 4.5-6) 3.25 10.13 -33.57 1 3 1 32 304.776 4 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(2-chloroethyl)-5-fluoro-1-[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) 3.09 9.84 -10.66 0 3 0 31 303.768 5 ↓
Lo Low (pH 4.5-6) 3.09 10.13 -37.54 1 3 1 32 304.776 5 ↓

Analogs

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Popular Name: 5-bromo-2-[(1S)-1-chloroethyl]-1-[2-(3-pyridyl)ethyl]benzimidazole 5-bromo-2-[(1S)-1-chloroethyl]-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) 3.89 10.15 -11.04 0 3 0 31 364.674 4 ↓
Lo Low (pH 4.5-6) 3.89 10.55 -33.4 1 3 1 32 365.682 4 ↓

Analogs

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Popular Name: 5-bromo-2-[(1R)-1-chloroethyl]-1-[2-(3-pyridyl)ethyl]benzimidazole 5-bromo-2-[(1R)-1-chloroethyl]-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) 3.89 10.19 -10.86 0 3 0 31 364.674 4 ↓
Lo Low (pH 4.5-6) 3.89 10.68 -33.09 1 3 1 32 365.682 4 ↓

Analogs

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Popular Name: 5-bromo-2-(2-chloroethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 5-bromo-2-(2-chloroethyl)-1-[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) 3.74 10.39 -9.91 0 3 0 31 364.674 5 ↓
Lo Low (pH 4.5-6) 3.74 10.68 -37.24 1 3 1 32 365.682 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-1-[2-(3-pyridyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-1-[2-(3-p…

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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 9.53 -11.32 0 3 0 31 285.778 4 ↓
Lo Low (pH 4.5-6) 3.11 9.93 -30.39 1 3 1 32 286.786 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-1-[2-(3-pyridyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-1-[2-(3-p…

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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 9.57 -11.12 0 3 0 31 285.778 4 ↓
Lo Low (pH 4.5-6) 3.11 10.06 -30.12 1 3 1 32 286.786 4 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(2-chloroethyl)-1-[2-(3-pyridy…

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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 9.77 -10.11 0 3 0 31 285.778 5 ↓
Mid Mid (pH 6-8) 2.95 10.19 -34.25 1 3 1 32 286.786 5 ↓
Lo Low (pH 4.5-6) 2.95 10.66 -84.63 2 3 2 33 287.794 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[(1S)-1-chloroethyl]-1-[2-(3-pyridyl)ethyl]benzimidazole 7-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) 3.74 9.85 -9.32 0 3 0 31 320.223 4 ↓
Lo Low (pH 4.5-6) 3.74 10.25 -30.43 1 3 1 32 321.231 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[(1R)-1-chloroethyl]-1-[2-(3-pyridyl)ethyl]benzimidazole 7-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) 3.74 9.9 -9 0 3 0 31 320.223 4 ↓
Lo Low (pH 4.5-6) 3.74 10.37 -30.02 1 3 1 32 321.231 4 ↓

Analogs

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Popular Name: 7-chloro-2-(2-chloroethyl)-1-[2-(3-pyridyl)ethyl]benzimidazole 7-chloro-2-(2-chloroethyl)-1-[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) 3.58 9.94 -9.09 0 3 0 31 320.223 5 ↓
Lo Low (pH 4.5-6) 3.58 10.53 -36.22 1 3 1 32 321.231 5 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-methyl-1-[2-(3-pyridyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-5-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) 3.53 10.2 -11.75 0 3 0 31 299.805 4 ↓
Lo Low (pH 4.5-6) 3.53 10.19 -29.39 1 3 1 32 300.813 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-5-methyl-1-[2-(3-pyridyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-5-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) 3.53 10.24 -11.4 0 3 0 31 299.805 4 ↓
Lo Low (pH 4.5-6) 3.53 10.74 -30.56 1 3 1 32 300.813 4 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-methyl-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(2-chloroethyl)-5-methyl-1-[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) 3.38 10.44 -10.2 0 3 0 31 299.805 5 ↓
Mid Mid (pH 6-8) 3.38 10.87 -34.02 1 3 1 32 300.813 5 ↓
Lo Low (pH 4.5-6) 3.38 11.34 -85.04 2 3 2 33 301.821 5 ↓

Analogs

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Popular Name: 2-(chloromethyl)-4-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(chloromethyl)-4-fluoro-1-[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) 2.86 9.08 -13.76 0 3 0 31 289.741 4 ↓
Lo Low (pH 4.5-6) 2.86 9.55 -50.42 1 3 1 32 290.749 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-4-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-4-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) 3.22 9.6 -14.69 0 3 0 31 303.768 4 ↓
Lo Low (pH 4.5-6) 3.22 10.07 -52.89 1 3 1 32 304.776 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-4-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-4-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) 3.22 9.63 -14.51 0 3 0 31 303.768 4 ↓
Lo Low (pH 4.5-6) 3.22 10.1 -51.84 1 3 1 32 304.776 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-4-fluoro-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(2-chloroethyl)-4-fluoro-1-[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) 3.07 9.83 -12.94 0 3 0 31 303.768 5 ↓
Lo Low (pH 4.5-6) 3.07 10.26 -35.77 1 3 1 32 304.776 5 ↓

Analogs

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Popular Name: 2-methyl-1-[2-(3-pyridyl)ethyl]benzimidazole-5-carboxylic 2-methyl-1-[2-(3-pyridyl)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) 2.04 9.07 -58.18 0 5 -1 71 280.307 4 ↓
Mid Mid (pH 6-8) 2.04 9.51 -58.56 1 5 0 72 281.315 4 ↓
Lo Low (pH 4.5-6) 2.04 9.98 -106.83 2 5 1 73 282.323 4 ↓

Analogs

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Popular Name: 1-[2-(3-pyridyl)ethyl]benzimidazole-5-carboxylic 1-[2-(3-pyridyl)ethyl]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) 1.95 9.28 -57.92 0 5 -1 71 266.28 4 ↓
Mid Mid (pH 6-8) 1.95 9.77 -65.41 1 5 0 72 267.288 4 ↓
Lo Low (pH 4.5-6) 1.95 10.23 -113 2 5 1 73 268.296 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 28212 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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