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Analogs

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Popular Name: 1-[(2-methylthiazol-4-yl)methyl]benzimidazol-5-amine 1-[(2-methylthiazol-4-yl)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) 1.03 5.39 -12.83 2 4 0 57 244.323 2 ↓
Mid Mid (pH 6-8) 1.03 5.88 -33.32 3 4 1 58 245.331 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-5-amine 2-methyl-1-[(2-methylthiazol-4-y…

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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 5.28 -12.7 2 4 0 57 258.35 2 ↓
Mid Mid (pH 6-8) 1.12 5.72 -25.96 3 4 1 58 259.358 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-5-amine 2-ethyl-1-[(2-methylthiazol-4-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) 1.69 5.88 -12.44 2 4 0 57 272.377 3 ↓
Mid Mid (pH 6-8) 1.69 6.69 -24.75 3 4 1 58 273.385 3 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-4-yl)methyl]-2-propyl-benzimidazol-5-amine 1-[(2-methylthiazol-4-yl)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) 2.19 6.67 -12.25 2 4 0 57 286.404 4 ↓
Mid Mid (pH 6-8) 2.19 7.47 -24.62 3 4 1 58 287.412 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-5-amine 2-isopropyl-1-[(2-methylthiazol-…

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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) 2.17 6.22 -11.89 2 4 0 57 286.404 3 ↓
Mid Mid (pH 6-8) 2.17 7.29 -23.49 3 4 1 58 287.412 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-5-amine 2-tert-butyl-1-[(2-methylthiazol…

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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) 2.84 7.22 -11.8 2 4 0 57 300.431 3 ↓
Mid Mid (pH 6-8) 2.84 7.63 -22.83 3 4 1 58 301.439 3 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-4-yl)methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(2-methylthiazol-4-yl)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) 2.03 5.93 -13.01 2 4 0 57 312.32 3 ↓

Analogs

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Popular Name: [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]thiazol-2-yl]methanamine [4-[(5,6-dimethylbenzimidazol-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) 1.98 6.14 -49.09 3 4 1 58 273.385 3 ↓
Mid Mid (pH 6-8) 1.98 6.62 -91.26 4 4 2 60 274.393 3 ↓
Mid Mid (pH 6-8) 1.98 5.73 -13.7 2 4 0 57 272.377 3 ↓

Analogs

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Popular Name: 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[(5,6-dimethylbenzimidazol-…

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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) 2.35 8.01 -44.02 2 4 1 47 287.412 4 ↓
Hi High (pH 8-9.5) 2.35 6.56 -11.68 1 4 0 43 286.404 4 ↓
Mid Mid (pH 6-8) 2.35 8.49 -86.16 3 4 2 49 288.42 4 ↓

Analogs

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Popular Name: N-[[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[(5,6-dimethylbenzimidazol…

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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 8.82 -45.65 2 4 1 47 301.439 5 ↓
Hi High (pH 8-9.5) 2.73 7.48 -13.06 1 4 0 43 300.431 5 ↓
Mid Mid (pH 6-8) 2.73 9.31 -85.86 3 4 2 49 302.447 5 ↓

Analogs

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Popular Name: N-[[4-(benzimidazol-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-(benzimidazol-1-ylmethyl)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) 2.67 9.06 -45.96 2 4 1 47 301.439 6 ↓
Hi High (pH 8-9.5) 2.67 7.86 -12.24 1 4 0 43 300.431 6 ↓
Lo Low (pH 4.5-6) 2.67 9.55 -87.17 3 4 2 49 302.447 6 ↓

Analogs

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Popular Name: N-[[4-(benzimidazol-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-(benzimidazol-1-ylmethyl)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) 2.74 8.58 -41.4 2 4 1 47 301.439 5 ↓
Hi High (pH 8-9.5) 2.74 7.35 -12.23 1 4 0 43 300.431 5 ↓
Lo Low (pH 4.5-6) 2.74 9.06 -83.11 3 4 2 49 302.447 5 ↓

Analogs

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Popular Name: [4-(benzimidazol-1-ylmethyl)thiazol-2-yl]methanamine [4-(benzimidazol-1-ylmethyl)thia…

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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) 1.18 4.91 -48.96 3 4 1 58 245.331 3 ↓
Mid Mid (pH 6-8) 1.18 4.5 -13.2 2 4 0 57 244.323 3 ↓
Lo Low (pH 4.5-6) 1.18 5.39 -91.15 4 4 2 60 246.339 3 ↓

Analogs

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Popular Name: 1-[4-(benzimidazol-1-ylmethyl)thiazol-2-yl]-N-methyl-methanamine 1-[4-(benzimidazol-1-ylmethyl)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) 1.55 6.77 -43.88 2 4 1 47 259.358 4 ↓
Hi High (pH 8-9.5) 1.55 5.34 -12.78 1 4 0 43 258.35 4 ↓
Lo Low (pH 4.5-6) 1.55 7.26 -86.09 3 4 2 49 260.366 4 ↓

Analogs

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Popular Name: N-[[4-(benzimidazol-1-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(benzimidazol-1-ylmethyl)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) 1.93 7.61 -45.23 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 1.93 6.27 -12.58 1 4 0 43 272.377 5 ↓
Lo Low (pH 4.5-6) 1.93 8.1 -85.67 3 4 2 49 274.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(benzimidazol-1-ylmethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(benzimidazol-1-ylmethyl)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) 2.23 8.15 -43.31 2 4 1 47 287.412 5 ↓
Hi High (pH 8-9.5) 2.23 6.96 -12.36 1 4 0 43 286.404 5 ↓
Lo Low (pH 4.5-6) 2.23 8.63 -84.52 3 4 2 49 288.42 5 ↓

Analogs

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Popular Name: N-[[4-(benzimidazol-1-ylmethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(benzimidazol-1-ylmethyl)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) 2.43 8.38 -45.96 2 4 1 47 287.412 6 ↓
Hi High (pH 8-9.5) 2.43 7.03 -12.46 1 4 0 43 286.404 6 ↓
Lo Low (pH 4.5-6) 2.43 8.85 -86.97 3 4 2 49 288.42 6 ↓

Analogs

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Popular Name: 4-[(2-ethylbenzimidazol-1-yl)methyl]thiazole-2-carboxylic 4-[(2-ethylbenzimidazol-1-yl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 7.88 -55.34 0 5 -1 71 286.336 4 ↓
Mid Mid (pH 6-8) 2.23 8.65 -46.77 1 5 0 72 287.344 4 ↓

Analogs

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Popular Name: 4-[(2-ethylbenzimidazol-1-yl)methyl]thiazol-2-amine 4-[(2-ethylbenzimidazol-1-yl)met…

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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) 2.53 6.3 -11.77 2 4 0 57 258.35 3 ↓
Mid Mid (pH 6-8) 2.53 7.14 -25.26 3 4 1 58 259.358 3 ↓

Analogs

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Popular Name: 2-ethyl-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]thiazole 2-ethyl-4-[(2-methylsulfonylbenz…

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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) 2.34 5.48 -20.58 0 5 0 65 321.427 4 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-amine 1-[(2-methylthiazol-4-yl)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) 1.78 7.48 -26.41 3 4 1 58 245.331 2 ↓
Mid Mid (pH 6-8) 1.78 7.01 -11.61 2 4 0 57 244.323 2 ↓

Analogs

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Popular Name: 5-chloro-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-amine 5-chloro-1-[(2-methylthiazol-4-y…

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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) 2.43 7.52 -10.97 2 4 0 57 278.768 2 ↓
Mid Mid (pH 6-8) 2.43 7.99 -28.82 3 4 1 58 279.776 2 ↓

Analogs

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Popular Name: 5-fluoro-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-amine 5-fluoro-1-[(2-methylthiazol-4-y…

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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) 1.92 7.07 -11.68 2 4 0 57 262.313 2 ↓
Mid Mid (pH 6-8) 1.92 7.54 -29.34 3 4 1 58 263.321 2 ↓

Analogs

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Popular Name: 5-bromo-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-amine 5-bromo-1-[(2-methylthiazol-4-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) 2.56 7.63 -10.83 2 4 0 57 323.219 2 ↓
Mid Mid (pH 6-8) 2.56 8.1 -28.94 3 4 1 58 324.227 2 ↓

Analogs

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Popular Name: 7-chloro-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-amine 7-chloro-1-[(2-methylthiazol-4-y…

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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) 2.41 7.27 -8.99 2 4 0 57 278.768 2 ↓
Mid Mid (pH 6-8) 2.41 7.75 -26.74 3 4 1 58 279.776 2 ↓

Analogs

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Popular Name: 5-methyl-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-amine 5-methyl-1-[(2-methylthiazol-4-y…

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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) 2.20 8.15 -29.26 3 4 1 58 259.358 2 ↓

Analogs

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Popular Name: 4-fluoro-1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-amine 4-fluoro-1-[(2-methylthiazol-4-y…

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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) 1.90 7.08 -14.57 2 4 0 57 262.313 2 ↓
Mid Mid (pH 6-8) 1.90 7.55 -28.03 3 4 1 58 263.321 2 ↓

Analogs

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Popular Name: 4-[[5-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-chloro-2-(chloromethyl)ben…

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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) 3.31 8.42 -9.82 0 3 0 31 312.225 3 ↓
Lo Low (pH 4.5-6) 3.31 8.86 -28.08 1 3 1 32 313.233 3 ↓

Analogs

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Popular Name: 4-[[2-(chloromethyl)-5-fluoro-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-(chloromethyl)-5-fluoro-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) 2.80 7.98 -10.49 0 3 0 31 295.77 3 ↓
Lo Low (pH 4.5-6) 2.80 8.42 -28.59 1 3 1 32 296.778 3 ↓

Analogs

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Popular Name: 4-[[5-bromo-2-(chloromethyl)benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-bromo-2-(chloromethyl)benz…

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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) 3.44 8.52 -9.66 0 3 0 31 356.676 3 ↓

Analogs

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Popular Name: 4-[[7-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[7-chloro-2-(chloromethyl)ben…

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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) 3.29 8.17 -10.76 0 3 0 31 312.225 3 ↓
Lo Low (pH 4.5-6) 3.29 8.61 -31.59 1 3 1 32 313.233 3 ↓

Analogs

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Popular Name: 4-[[2-(chloromethyl)-5-methyl-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-(chloromethyl)-5-methyl-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) 3.08 8.49 -11.21 0 3 0 31 291.807 3 ↓
Lo Low (pH 4.5-6) 3.08 8.92 -27.94 1 3 1 32 292.815 3 ↓

Analogs

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Popular Name: 4-[[5-chloro-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-chloro-2-[(1R)-1-chloroeth…

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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) 3.67 8.89 -11.34 0 3 0 31 326.252 3 ↓
Lo Low (pH 4.5-6) 3.67 9.37 -27.54 1 3 1 32 327.26 3 ↓

Analogs

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Popular Name: 4-[[5-chloro-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-chloro-2-[(1S)-1-chloroeth…

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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) 3.67 9.19 -10.51 0 3 0 31 326.252 3 ↓
Lo Low (pH 4.5-6) 3.67 9.84 -26.4 1 3 1 32 327.26 3 ↓

Analogs

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Popular Name: 4-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-chloro-2-(2-chloroethyl)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) 3.52 9.17 -10.16 0 3 0 31 326.252 4 ↓
Lo Low (pH 4.5-6) 3.52 9.97 -29.57 1 3 1 32 327.26 4 ↓

Analogs

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Popular Name: 4-[[2-[(1R)-1-chloroethyl]-5-fluoro-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-[(1R)-1-chloroethyl]-5-flu…

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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) 3.16 8.45 -12.06 0 3 0 31 309.797 3 ↓
Lo Low (pH 4.5-6) 3.16 8.93 -28.08 1 3 1 32 310.805 3 ↓

Analogs

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Popular Name: 4-[[2-[(1S)-1-chloroethyl]-5-fluoro-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-[(1S)-1-chloroethyl]-5-flu…

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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) 3.16 8.74 -11.3 0 3 0 31 309.797 3 ↓
Lo Low (pH 4.5-6) 3.16 9.4 -26.92 1 3 1 32 310.805 3 ↓

Analogs

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Popular Name: 4-[[2-(2-chloroethyl)-5-fluoro-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-(2-chloroethyl)-5-fluoro-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) 3.01 8.73 -10.92 0 3 0 31 309.797 4 ↓
Lo Low (pH 4.5-6) 3.01 9.53 -30.02 1 3 1 32 310.805 4 ↓

Analogs

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Popular Name: 4-[[5-bromo-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-bromo-2-[(1R)-1-chloroethy…

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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) 3.81 8.99 -11.11 0 3 0 31 370.703 3 ↓
Lo Low (pH 4.5-6) 3.81 9.47 -27.57 1 3 1 32 371.711 3 ↓

Analogs

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Popular Name: 4-[[5-bromo-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-bromo-2-[(1S)-1-chloroethy…

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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) 3.81 9.29 -10.33 0 3 0 31 370.703 3 ↓
Lo Low (pH 4.5-6) 3.81 9.94 -26.42 1 3 1 32 371.711 3 ↓

Analogs

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Popular Name: 4-[[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[5-bromo-2-(2-chloroethyl)ben…

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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) 3.65 9.27 -10.01 0 3 0 31 370.703 4 ↓
Lo Low (pH 4.5-6) 3.65 10.08 -29.62 1 3 1 32 371.711 4 ↓

Analogs

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Popular Name: 4-[[2-[(1R)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-[(1R)-1-chloroethyl]benzim…

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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 8.37 -11.81 0 3 0 31 291.807 3 ↓
Lo Low (pH 4.5-6) 3.02 8.85 -25.37 1 3 1 32 292.815 3 ↓

Analogs

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Popular Name: 4-[[2-[(1S)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-[(1S)-1-chloroethyl]benzim…

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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 8.67 -11.04 0 3 0 31 291.807 3 ↓
Lo Low (pH 4.5-6) 3.02 9.33 -24.2 1 3 1 32 292.815 3 ↓

Analogs

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Popular Name: 4-[[7-chloro-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[7-chloro-2-[(1R)-1-chloroeth…

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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) 3.65 8.65 -8.86 0 3 0 31 326.252 3 ↓
Lo Low (pH 4.5-6) 3.65 9.15 -24.33 1 3 1 32 327.26 3 ↓

Analogs

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Popular Name: 4-[[7-chloro-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[7-chloro-2-[(1S)-1-chloroeth…

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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) 3.65 8.96 -8.35 0 3 0 31 326.252 3 ↓
Lo Low (pH 4.5-6) 3.65 9.6 -23.53 1 3 1 32 327.26 3 ↓

Analogs

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Popular Name: 4-[[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[7-chloro-2-(2-chloroethyl)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) 3.50 8.83 -9.41 0 3 0 31 326.252 4 ↓
Lo Low (pH 4.5-6) 3.50 9.38 -31.65 1 3 1 32 327.26 4 ↓

Analogs

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Popular Name: 4-[[2-[(1R)-1-chloroethyl]-5-methyl-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-[(1R)-1-chloroethyl]-5-met…

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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) 3.44 9.02 -12.27 0 3 0 31 305.834 3 ↓
Lo Low (pH 4.5-6) 3.44 8.97 -25.36 1 3 1 32 306.842 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(1S)-1-chloroethyl]-5-methyl-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-[(1S)-1-chloroethyl]-5-met…

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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) 3.44 9.04 -12.78 0 3 0 31 305.834 3 ↓
Lo Low (pH 4.5-6) 3.44 9.53 -26.8 1 3 1 32 306.842 3 ↓

Analogs

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Popular Name: 4-[[2-(2-chloroethyl)-5-methyl-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-(2-chloroethyl)-5-methyl-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) 3.29 9.24 -11.14 0 3 0 31 305.834 4 ↓
Mid Mid (pH 6-8) 3.29 9.66 -29.62 1 3 1 32 306.842 4 ↓

Analogs

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Popular Name: 4-[[2-(chloromethyl)-4-fluoro-benzimidazol-1-yl]methyl]-2-methyl-thiazole 4-[[2-(chloromethyl)-4-fluoro-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) 2.77 7.97 -13.47 0 3 0 31 295.77 3 ↓

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