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Analogs

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Popular Name: 5-chloro-1-[(3R)-1,1-dioxothian-3-yl]benzimidazol-2-amine 5-chloro-1-[(3R)-1,1-dioxothian-…

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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) 1.75 5.07 -17.5 2 5 0 78 299.783 1 ↓
Mid Mid (pH 6-8) 1.75 5.54 -42.6 3 5 1 79 300.791 1 ↓

Analogs

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Popular Name: 5-chloro-1-[(3S)-1,1-dioxothian-3-yl]benzimidazol-2-amine 5-chloro-1-[(3S)-1,1-dioxothian-…

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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) 1.75 5.08 -17.51 2 5 0 78 299.783 1 ↓
Mid Mid (pH 6-8) 1.75 5.55 -42.65 3 5 1 79 300.791 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]benzimidazol-2-amine 1-[(3R)-1,1-dioxothian-3-yl]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) 1.09 5.03 -39.85 3 5 1 79 266.346 1 ↓
Mid Mid (pH 6-8) 1.09 4.56 -17.95 2 5 0 78 265.338 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]benzimidazol-2-amine 1-[(3S)-1,1-dioxothian-3-yl]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) 1.09 5.04 -39.83 3 5 1 79 266.346 1 ↓
Mid Mid (pH 6-8) 1.09 4.57 -17.97 2 5 0 78 265.338 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-6,7-difluoro-benzimidazol-2-amine 1-[(3R)-1,1-dioxothian-3-yl]-6,7…

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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) 1.32 4.63 -18.41 2 5 0 78 301.318 1 ↓
Lo Low (pH 4.5-6) 1.32 5.1 -48.19 3 5 1 79 302.326 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-6,7-difluoro-benzimidazol-2-amine 1-[(3S)-1,1-dioxothian-3-yl]-6,7…

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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) 1.32 4.63 -18.4 2 5 0 78 301.318 1 ↓
Lo Low (pH 4.5-6) 1.32 5.1 -48.16 3 5 1 79 302.326 1 ↓

Analogs

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Popular Name: 7-chloro-1-[(3R)-1,1-dioxothian-3-yl]benzimidazol-2-amine 7-chloro-1-[(3R)-1,1-dioxothian-…

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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) 1.72 4.9 -17.14 2 5 0 78 299.783 1 ↓
Mid Mid (pH 6-8) 1.72 5.37 -42.4 3 5 1 79 300.791 1 ↓

Analogs

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Popular Name: 7-chloro-1-[(3S)-1,1-dioxothian-3-yl]benzimidazol-2-amine 7-chloro-1-[(3S)-1,1-dioxothian-…

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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) 1.72 4.9 -17.14 2 5 0 78 299.783 1 ↓
Mid Mid (pH 6-8) 1.72 5.37 -42.4 3 5 1 79 300.791 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-5-methyl-benzimidazol-2-amine 1-[(3R)-1,1-dioxothian-3-yl]-5-m…

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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) 1.51 5.7 -39.72 3 5 1 79 280.373 1 ↓
Mid Mid (pH 6-8) 1.51 5.23 -18.04 2 5 0 78 279.365 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-5-methyl-benzimidazol-2-amine 1-[(3S)-1,1-dioxothian-3-yl]-5-m…

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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) 1.51 5.7 -39.72 3 5 1 79 280.373 1 ↓
Mid Mid (pH 6-8) 1.51 5.23 -18.06 2 5 0 78 279.365 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-4-fluoro-benzimidazol-2-amine 1-[(3R)-1,1-dioxothian-3-yl]-4-f…

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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) 1.21 4.63 -20.46 2 5 0 78 283.328 1 ↓
Lo Low (pH 4.5-6) 1.21 5.1 -40.86 3 5 1 79 284.336 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-4-fluoro-benzimidazol-2-amine 1-[(3S)-1,1-dioxothian-3-yl]-4-f…

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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) 1.21 4.63 -20.48 2 5 0 78 283.328 1 ↓
Lo Low (pH 4.5-6) 1.21 5.1 -40.84 3 5 1 79 284.336 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-5-fluoro-6-methoxy-benzimidazol-2-amine 1-[(3R)-1,1-dioxothian-3-yl]-5-f…

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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) 1.22 3.93 -19.46 2 6 0 87 313.354 2 ↓
Mid Mid (pH 6-8) 1.22 4.4 -45.91 3 6 1 88 314.362 2 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-6-methoxy-benzimidazol-2-amine 1-[(3S)-1,1-dioxothian-3-yl]-5-f…

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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) 1.22 3.93 -19.43 2 6 0 87 313.354 2 ↓
Mid Mid (pH 6-8) 1.22 4.4 -45.96 3 6 1 88 314.362 2 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-6-fluoro-benzimidazol-2-amine 1-[(3R)-1,1-dioxothian-3-yl]-6-f…

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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 4.63 -17.18 2 5 0 78 283.328 1 ↓
Mid Mid (pH 6-8) 1.23 5.1 -43.87 3 5 1 79 284.336 1 ↓

Analogs

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Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-6-fluoro-benzimidazol-2-amine 1-[(3S)-1,1-dioxothian-3-yl]-6-f…

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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 4.62 -17.14 2 5 0 78 283.328 1 ↓
Mid Mid (pH 6-8) 1.23 5.09 -43.86 3 5 1 79 284.336 1 ↓

Analogs

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Popular Name: 1-[(3R)-1,1-dioxothian-3-yl]-5-fluoro-benzimidazol-2-amine 1-[(3R)-1,1-dioxothian-3-yl]-5-f…

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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 4.63 -18.19 2 5 0 78 283.328 1 ↓
Mid Mid (pH 6-8) 1.23 5.1 -43.07 3 5 1 79 284.336 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-benzimidazol-2-amine 1-[(3S)-1,1-dioxothian-3-yl]-5-f…

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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 4.63 -18.18 2 5 0 78 283.328 1 ↓
Mid Mid (pH 6-8) 1.23 5.11 -43.05 3 5 1 79 284.336 1 ↓

Analogs

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Popular Name: (3R)-3-[2-(chloromethyl)-5-fluoro-benzimidazol-1-yl]thiane (3R)-3-[2-(chloromethyl)-5-fluor…

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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) 2.11 5.33 -18.03 0 4 0 52 316.785 2 ↓
Lo Low (pH 4.5-6) 2.11 5.77 -43.09 1 4 1 53 317.793 2 ↓

Analogs

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Popular Name: (3S)-3-[2-(chloromethyl)-5-fluoro-benzimidazol-1-yl]thiane (3S)-3-[2-(chloromethyl)-5-fluor…

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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) 2.11 5.33 -16.8 0 4 0 52 316.785 2 ↓
Lo Low (pH 4.5-6) 2.11 5.77 -41.75 1 4 1 53 317.793 2 ↓

Analogs

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Popular Name: (3R)-3-[2-(2-chloroethyl)-6-fluoro-benzimidazol-1-yl]thiane (3R)-3-[2-(2-chloroethyl)-6-fluo…

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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) 2.32 6.07 -14.99 0 4 0 52 330.812 3 ↓
Lo Low (pH 4.5-6) 2.32 6.51 -43.57 1 4 1 53 331.82 3 ↓

Analogs

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Popular Name: (3S)-3-[2-(2-chloroethyl)-6-fluoro-benzimidazol-1-yl]thiane (3S)-3-[2-(2-chloroethyl)-6-fluo…

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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) 2.32 6.07 -14.64 0 4 0 52 330.812 3 ↓
Lo Low (pH 4.5-6) 2.32 6.51 -43.63 1 4 1 53 331.82 3 ↓

Analogs

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Popular Name: (3R)-3-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]thiane (3R)-3-[5-bromo-2-(chloromethyl)…

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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 5.88 -17.16 0 4 0 52 377.691 2 ↓

Analogs

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Popular Name: (3S)-3-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]thiane (3S)-3-[5-bromo-2-(chloromethyl)…

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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 5.88 -15.87 0 4 0 52 377.691 2 ↓

Analogs

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Popular Name: (3R)-3-[5-chloro-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]thiane (3R)-3-[5-chloro-2-[(1S)-1-chlor…

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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) 2.98 6.34 -16.84 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.98 6.82 -38.82 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3R)-3-[5-chloro-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]thiane (3R)-3-[5-chloro-2-[(1R)-1-chlor…

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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) 2.98 6.34 -17.74 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.98 6.63 -39.18 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3S)-3-[5-chloro-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]thiane (3S)-3-[5-chloro-2-[(1S)-1-chlor…

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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) 2.98 6.33 -17.73 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.98 6.81 -39.43 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3S)-3-[5-chloro-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]thiane (3S)-3-[5-chloro-2-[(1R)-1-chlor…

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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) 2.98 6.34 -16.87 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.98 6.59 -39.91 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3R)-3-[7-chloro-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]thiane (3R)-3-[7-chloro-2-[(1S)-1-chlor…

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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 5.95 -17.21 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.96 6.35 -39.09 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3R)-3-[7-chloro-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]thiane (3R)-3-[7-chloro-2-[(1R)-1-chlor…

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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 5.95 -15.77 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.96 6.2 -37.41 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3S)-3-[7-chloro-2-[(1S)-1-chloroethyl]benzimidazol-1-yl]thiane (3S)-3-[7-chloro-2-[(1S)-1-chlor…

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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 5.95 -15.8 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.96 6.4 -37.6 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3S)-3-[7-chloro-2-[(1R)-1-chloroethyl]benzimidazol-1-yl]thiane (3S)-3-[7-chloro-2-[(1R)-1-chlor…

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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 5.96 -17.22 0 4 0 52 347.267 2 ↓
Lo Low (pH 4.5-6) 2.96 6.21 -38.14 1 4 1 53 348.275 2 ↓

Analogs

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Popular Name: (3R)-3-[2-(chloromethyl)-6,7-difluoro-benzimidazol-1-yl]thiane (3R)-3-[2-(chloromethyl)-6,7-dif…

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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 5.24 -14.57 0 4 0 52 334.775 2 ↓

Analogs

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Popular Name: (3S)-3-[2-(chloromethyl)-6,7-difluoro-benzimidazol-1-yl]thiane (3S)-3-[2-(chloromethyl)-6,7-dif…

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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 5.24 -13.25 0 4 0 52 334.775 2 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1S)-1-chloroethyl]-6-fluoro-benzimidazol-1-yl]thiane (3R)-3-[2-[(1S)-1-chloroethyl]-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 5.89 -15.11 0 4 0 52 330.812 2 ↓
Lo Low (pH 4.5-6) 2.47 6.37 -38.38 1 4 1 53 331.82 2 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1R)-1-chloroethyl]-6-fluoro-benzimidazol-1-yl]thiane (3R)-3-[2-[(1R)-1-chloroethyl]-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 5.89 -15.93 0 4 0 52 330.812 2 ↓
Lo Low (pH 4.5-6) 2.47 6.18 -39.73 1 4 1 53 331.82 2 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1S)-1-chloroethyl]-6-fluoro-benzimidazol-1-yl]thiane (3S)-3-[2-[(1S)-1-chloroethyl]-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 5.89 -15.95 0 4 0 52 330.812 2 ↓
Lo Low (pH 4.5-6) 2.47 6.37 -39.01 1 4 1 53 331.82 2 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1R)-1-chloroethyl]-6-fluoro-benzimidazol-1-yl]thiane (3S)-3-[2-[(1R)-1-chloroethyl]-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 5.89 -15.13 0 4 0 52 330.812 2 ↓
Lo Low (pH 4.5-6) 2.47 6.15 -40.18 1 4 1 53 331.82 2 ↓

Analogs

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Popular Name: (3R)-3-[2-(chloromethyl)-5-methyl-benzimidazol-1-yl]thiane (3R)-3-[2-(chloromethyl)-5-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) 2.39 5.93 -17.5 0 4 0 52 312.822 2 ↓
Lo Low (pH 4.5-6) 2.39 6.37 -39.47 1 4 1 53 313.83 2 ↓

Analogs

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Popular Name: (3S)-3-[2-(chloromethyl)-5-methyl-benzimidazol-1-yl]thiane (3S)-3-[2-(chloromethyl)-5-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) 2.39 5.94 -16.28 0 4 0 52 312.822 2 ↓
Lo Low (pH 4.5-6) 2.39 6.38 -38.13 1 4 1 53 313.83 2 ↓

Analogs

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Popular Name: (3R)-3-[2-(2-chloroethyl)-5-fluoro-benzimidazol-1-yl]thiane (3R)-3-[2-(2-chloroethyl)-5-fluo…

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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) 2.32 6.08 -16.98 0 4 0 52 330.812 3 ↓
Lo Low (pH 4.5-6) 2.32 6.51 -43.95 1 4 1 53 331.82 3 ↓

Analogs

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Popular Name: (3S)-3-[2-(2-chloroethyl)-5-fluoro-benzimidazol-1-yl]thiane (3S)-3-[2-(2-chloroethyl)-5-fluo…

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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) 2.32 6.08 -17.29 0 4 0 52 330.812 3 ↓
Lo Low (pH 4.5-6) 2.32 6.51 -43.99 1 4 1 53 331.82 3 ↓

Analogs

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Popular Name: (3R)-3-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]thiane (3R)-3-[7-chloro-2-(2-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) 2.81 6.1 -14.87 0 4 0 52 347.267 3 ↓
Lo Low (pH 4.5-6) 2.81 6.5 -43.31 1 4 1 53 348.275 3 ↓

Analogs

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Popular Name: (3S)-3-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]thiane (3S)-3-[7-chloro-2-(2-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) 2.81 6.07 -15.35 0 4 0 52 347.267 3 ↓
Lo Low (pH 4.5-6) 2.81 6.55 -42.84 1 4 1 53 348.275 3 ↓

Analogs

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Popular Name: (3R)-3-[2-(2-chloroethyl)-5-methyl-benzimidazol-1-yl]thiane (3R)-3-[2-(2-chloroethyl)-5-meth…

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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) 2.60 6.68 -16.29 0 4 0 52 326.849 3 ↓
Lo Low (pH 4.5-6) 2.60 7.12 -40.11 1 4 1 53 327.857 3 ↓

Analogs

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Popular Name: (3S)-3-[2-(2-chloroethyl)-5-methyl-benzimidazol-1-yl]thiane (3S)-3-[2-(2-chloroethyl)-5-meth…

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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) 2.60 6.69 -16.66 0 4 0 52 326.849 3 ↓
Lo Low (pH 4.5-6) 2.60 7.12 -40.1 1 4 1 53 327.857 3 ↓

Analogs

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Popular Name: (3R)-3-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]thiane (3R)-3-[7-chloro-2-(chloromethyl…

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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) 2.60 5.4 -16.8 0 4 0 52 333.24 2 ↓

Analogs

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Popular Name: (3S)-3-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]thiane (3S)-3-[7-chloro-2-(chloromethyl…

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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) 2.60 5.39 -15.68 0 4 0 52 333.24 2 ↓

Analogs

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Popular Name: (3R)-3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]thiane (3R)-3-[5-chloro-2-(chloromethyl…

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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) 2.62 5.77 -17.29 0 4 0 52 333.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]thiane (3S)-3-[5-chloro-2-(chloromethyl…

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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) 2.62 5.77 -16.06 0 4 0 52 333.24 2 ↓

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