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Analogs

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Popular Name: 1-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]benzimidazol-5-amine 1-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.54 7.96 -9.69 2 3 0 44 271.389 2 ↓
Mid Mid (pH 6-8) 2.54 8.45 -29.44 3 3 1 45 272.397 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]benzimidazol-5-amine 1-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.54 7.96 -9.68 2 3 0 44 271.389 2 ↓
Mid Mid (pH 6-8) 2.54 8.45 -29.46 3 3 1 45 272.397 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.63 7.93 -10.39 2 3 0 44 285.416 2 ↓
Mid Mid (pH 6-8) 2.63 8.37 -25.64 3 3 1 45 286.424 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.63 7.95 -10.41 2 3 0 44 285.416 2 ↓
Mid Mid (pH 6-8) 2.63 8.39 -25.66 3 3 1 45 286.424 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-ethyl-benzimidazol-5-amine 1-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 3.20 8.34 -10.14 2 3 0 44 299.443 3 ↓
Mid Mid (pH 6-8) 3.20 8.91 -23.97 3 3 1 45 300.451 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-ethyl-benzimidazol-5-amine 1-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 3.20 8.48 -10.25 2 3 0 44 299.443 3 ↓
Mid Mid (pH 6-8) 3.20 8.81 -24.69 3 3 1 45 300.451 3 ↓

Analogs

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Popular Name: 2-methylsulfonyl-1-[(5-nitro-3-thienyl)methyl]benzimidazole 2-methylsulfonyl-1-[(5-nitro-3-t…

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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) 2.56 6.13 -18.56 0 7 0 98 337.382 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 1-[(1S)-1-(3-thienyl)ethyl]benzi…

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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 8.7 -26.03 3 3 1 45 244.343 2 ↓
Mid Mid (pH 6-8) 2.85 8.23 -9 2 3 0 44 243.335 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 1-[(1R)-1-(3-thienyl)ethyl]benzi…

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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 8.72 -25.79 3 3 1 45 244.343 2 ↓
Mid Mid (pH 6-8) 2.85 8.25 -8.87 2 3 0 44 243.335 2 ↓

Analogs

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Popular Name: 7-chloro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 7-chloro-1-[(1S)-1-(3-thienyl)et…

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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) 3.48 8.15 -7.23 2 3 0 44 277.78 2 ↓
Mid Mid (pH 6-8) 3.48 8.62 -28.46 3 3 1 45 278.788 2 ↓

Analogs

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Popular Name: 7-chloro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 7-chloro-1-[(1R)-1-(3-thienyl)et…

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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) 3.48 7.93 -7.25 2 3 0 44 277.78 2 ↓
Mid Mid (pH 6-8) 3.48 8.4 -27.78 3 3 1 45 278.788 2 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 5-fluoro-1-[(1S)-1-(3-thienyl)et…

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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 8.77 -29.05 3 3 1 45 262.333 2 ↓
Mid Mid (pH 6-8) 2.99 8.3 -9.09 2 3 0 44 261.325 2 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 5-fluoro-1-[(1R)-1-(3-thienyl)et…

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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 8.79 -28.73 3 3 1 45 262.333 2 ↓
Mid Mid (pH 6-8) 2.99 8.32 -8.98 2 3 0 44 261.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 5-methyl-1-[(1S)-1-(3-thienyl)et…

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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) 3.27 9.3 -26 3 3 1 45 258.37 2 ↓
Mid Mid (pH 6-8) 3.27 8.83 -9.25 2 3 0 44 257.362 2 ↓

Analogs

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Popular Name: 5-methyl-1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 5-methyl-1-[(1R)-1-(3-thienyl)et…

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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) 3.27 9.4 -25.7 3 3 1 45 258.37 2 ↓
Mid Mid (pH 6-8) 3.27 8.93 -9.02 2 3 0 44 257.362 2 ↓

Analogs

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Popular Name: 5-chloro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 5-chloro-1-[(1S)-1-(3-thienyl)et…

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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) 3.50 8.74 -8.43 2 3 0 44 277.78 2 ↓
Mid Mid (pH 6-8) 3.50 9.21 -28.57 3 3 1 45 278.788 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 5-chloro-1-[(1R)-1-(3-thienyl)et…

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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) 3.50 8.76 -8.33 2 3 0 44 277.78 2 ↓
Mid Mid (pH 6-8) 3.50 9.23 -28.24 3 3 1 45 278.788 2 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 4-fluoro-1-[(1S)-1-(3-thienyl)et…

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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 8.3 -11.67 2 3 0 44 261.325 2 ↓
Mid Mid (pH 6-8) 2.96 8.77 -27.42 3 3 1 45 262.333 2 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 4-fluoro-1-[(1R)-1-(3-thienyl)et…

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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 8.32 -11.59 2 3 0 44 261.325 2 ↓
Mid Mid (pH 6-8) 2.96 8.79 -27.16 3 3 1 45 262.333 2 ↓

Analogs

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Popular Name: 6,7-difluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 6,7-difluoro-1-[(1S)-1-(3-thieny…

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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) 3.08 8.74 -7.98 2 3 0 44 279.315 2 ↓
Mid Mid (pH 6-8) 3.08 9.21 -34.49 3 3 1 45 280.323 2 ↓

Analogs

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Popular Name: 6,7-difluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 6,7-difluoro-1-[(1R)-1-(3-thieny…

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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) 3.08 8.44 -8.15 2 3 0 44 279.315 2 ↓
Mid Mid (pH 6-8) 3.08 8.92 -33.73 3 3 1 45 280.323 2 ↓

Analogs

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Popular Name: 6-fluoro-1-[(1S)-1-(3-thienyl)ethyl]benzimidazol-2-amine 6-fluoro-1-[(1S)-1-(3-thienyl)et…

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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 8.3 -7.63 2 3 0 44 261.325 2 ↓
Mid Mid (pH 6-8) 2.99 8.77 -29.22 3 3 1 45 262.333 2 ↓

Analogs

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Popular Name: 6-fluoro-1-[(1R)-1-(3-thienyl)ethyl]benzimidazol-2-amine 6-fluoro-1-[(1R)-1-(3-thienyl)et…

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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 8.32 -7.48 2 3 0 44 261.325 2 ↓
Mid Mid (pH 6-8) 2.99 8.79 -28.93 3 3 1 45 262.333 2 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole 2-(chloromethyl)-1-[(1S)-1-(3-th…

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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) 3.72 9.12 -8.69 0 2 0 18 276.792 3 ↓
Lo Low (pH 4.5-6) 3.72 9.56 -27.38 1 2 1 19 277.8 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole 2-(chloromethyl)-1-[(1R)-1-(3-th…

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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) 3.72 9.02 -7.47 0 2 0 18 276.792 3 ↓
Lo Low (pH 4.5-6) 3.72 9.45 -25.43 1 2 1 19 277.8 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1S)-1-(3-thienyl)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) 4.74 10.06 -8.47 0 2 0 18 325.264 3 ↓
Lo Low (pH 4.5-6) 4.74 9.79 -27.18 1 2 1 19 326.272 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1R)-1-(3-thienyl)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) 4.74 10.08 -8.67 0 2 0 18 325.264 3 ↓
Lo Low (pH 4.5-6) 4.74 9.94 -26.5 1 2 1 19 326.272 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1S)-1-(3-thienyl)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) 4.74 10.06 -8.74 0 2 0 18 325.264 3 ↓
Lo Low (pH 4.5-6) 4.74 10.55 -27.63 1 2 1 19 326.272 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1R)-1-(3-thienyl)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) 4.74 10.12 -7.94 0 2 0 18 325.264 3 ↓
Lo Low (pH 4.5-6) 4.74 10.48 -25.74 1 2 1 19 326.272 3 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1S)-1-(3-thienyl)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) 4.59 10.12 -6.76 0 2 0 18 325.264 4 ↓
Lo Low (pH 4.5-6) 4.59 10.68 -31.19 1 2 1 19 326.272 4 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1R)-1-(3-thienyl)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) 4.59 10.27 -7.11 0 2 0 18 325.264 4 ↓
Lo Low (pH 4.5-6) 4.59 10.61 -29.44 1 2 1 19 326.272 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-fluoro-1-[(1S)-1-(3-thienyl)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) 3.86 9.19 -8.93 0 2 0 18 294.782 3 ↓
Lo Low (pH 4.5-6) 3.86 9.63 -30.25 1 2 1 19 295.79 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-fluoro-1-[(1R)-1-(3-thienyl)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) 3.86 9.09 -7.42 0 2 0 18 294.782 3 ↓
Lo Low (pH 4.5-6) 3.86 9.53 -27.94 1 2 1 19 295.79 3 ↓

Analogs

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Popular Name: 7-chloro-2-(chloromethyl)-1-[(1S)-1-(3-thienyl)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) 4.35 8.99 -7.2 0 2 0 18 311.237 3 ↓
Lo Low (pH 4.5-6) 4.35 9.43 -29.14 1 2 1 19 312.245 3 ↓

Analogs

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Popular Name: 7-chloro-2-(chloromethyl)-1-[(1R)-1-(3-thienyl)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) 4.35 9.02 -7.48 0 2 0 18 311.237 3 ↓
Lo Low (pH 4.5-6) 4.35 9.46 -30.07 1 2 1 19 312.245 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-methyl-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole 2-(chloromethyl)-5-methyl-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) 4.15 9.66 -7.79 0 2 0 18 290.819 3 ↓
Lo Low (pH 4.5-6) 4.15 10.1 -24.93 1 2 1 19 291.827 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-5-methyl-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole 2-(chloromethyl)-5-methyl-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) 4.15 9.79 -8.78 0 2 0 18 290.819 3 ↓
Lo Low (pH 4.5-6) 4.15 10.23 -27.1 1 2 1 19 291.827 3 ↓

Analogs

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Popular Name: 5-chloro-2-(chloromethyl)-1-[(1S)-1-(3-thienyl)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) 4.38 9.63 -8.27 0 2 0 18 311.237 3 ↓
Lo Low (pH 4.5-6) 4.38 10.07 -29.77 1 2 1 19 312.245 3 ↓

Analogs

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Popular Name: 5-chloro-2-(chloromethyl)-1-[(1R)-1-(3-thienyl)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) 4.38 9.53 -6.8 0 2 0 18 311.237 3 ↓
Lo Low (pH 4.5-6) 4.38 9.97 -27.5 1 2 1 19 312.245 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[(1S)-1-(3-thienyl)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) 4.23 9.61 -9.12 0 2 0 18 308.809 3 ↓
Lo Low (pH 4.5-6) 4.23 9.34 -27.51 1 2 1 19 309.817 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[(1R)-1-(3-thienyl)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) 4.23 9.63 -9.32 0 2 0 18 308.809 3 ↓
Lo Low (pH 4.5-6) 4.23 9.5 -26.95 1 2 1 19 309.817 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[(1S)-1-(3-thienyl)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) 4.23 9.62 -9.38 0 2 0 18 308.809 3 ↓
Lo Low (pH 4.5-6) 4.23 10.11 -28.03 1 2 1 19 309.817 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[(1R)-1-(3-thienyl)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) 4.23 9.68 -8.61 0 2 0 18 308.809 3 ↓
Lo Low (pH 4.5-6) 4.23 10.04 -26.25 1 2 1 19 309.817 3 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-fluoro-1-[(1S)-1-(3-thienyl)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) 4.07 9.68 -7.45 0 2 0 18 308.809 4 ↓
Lo Low (pH 4.5-6) 4.07 10.24 -31.61 1 2 1 19 309.817 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-5-fluoro-1-[(1R)-1-(3-thienyl)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) 4.07 9.83 -7.8 0 2 0 18 308.809 4 ↓
Lo Low (pH 4.5-6) 4.07 10.16 -29.86 1 2 1 19 309.817 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-1-[(1S)-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) 4.09 9.56 -9.04 0 2 0 18 290.819 3 ↓
Lo Low (pH 4.5-6) 4.09 9.28 -25.72 1 2 1 19 291.827 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole 2-[(1R)-1-chloroethyl]-1-[(1R)-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) 4.09 9.56 -9.15 0 2 0 18 290.819 3 ↓
Lo Low (pH 4.5-6) 4.09 9.43 -24.7 1 2 1 19 291.827 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-1-[(1S)-1-(3-thienyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-1-[(1S)-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) 4.09 9.6 -9.2 0 2 0 18 290.819 3 ↓
Lo Low (pH 4.5-6) 4.09 10.05 -25.7 1 2 1 19 291.827 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-1-[(1R)-1-(3-thienyl)ethyl]benzimidazole 2-[(1S)-1-chloroethyl]-1-[(1R)-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) 4.09 9.6 -8.45 0 2 0 18 290.819 3 ↓
Lo Low (pH 4.5-6) 4.09 9.97 -23.7 1 2 1 19 291.827 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.93 9.61 -7.21 0 2 0 18 290.819 4 ↓
Mid Mid (pH 6-8) 3.93 10.19 -28.86 1 2 1 19 291.827 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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