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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-5-amine 1-[(1R,8R)-2,3,5,6,7,8-hexahydro…

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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 6.26 -45.8 3 4 1 48 243.334 1 ↓
Hi High (pH 8-9.5) 1.09 3.84 -7.56 2 4 0 47 242.326 1 ↓
Mid Mid (pH 6-8) 1.09 6.75 -91.12 4 4 2 50 244.342 1 ↓

Analogs

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Popular Name: 1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-5-amine 1-[(1S,8R)-2,3,5,6,7,8-hexahydro…

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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 6.56 -45.25 3 4 1 48 243.334 1 ↓
Hi High (pH 8-9.5) 1.09 4.06 -7.85 2 4 0 47 242.326 1 ↓
Mid Mid (pH 6-8) 1.09 7.05 -93.7 4 4 2 50 244.342 1 ↓

Analogs

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Popular Name: 1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-methyl-benzimidazol-5-amine 1-[(1R,8R)-2,3,5,6,7,8-hexahydro…

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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 6.21 -47.99 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 1.18 3.78 -8.77 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 1.18 6.65 -86.87 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-methyl-benzimidazol-5-amine 1-[(1S,8R)-2,3,5,6,7,8-hexahydro…

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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 6.26 -46.5 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 1.18 3.77 -8.34 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 1.18 6.7 -88.08 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-5-amine 2-ethyl-1-[(1R,8R)-2,3,5,6,7,8-h…

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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 6.75 -48.32 3 4 1 48 271.388 2 ↓
Hi High (pH 8-9.5) 1.75 4.32 -8.28 2 4 0 47 270.38 2 ↓
Mid Mid (pH 6-8) 1.75 7.14 -85.9 4 4 2 50 272.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-5-amine 2-ethyl-1-[(1S,8R)-2,3,5,6,7,8-h…

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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 6.73 -46.35 3 4 1 48 271.388 2 ↓
Hi High (pH 8-9.5) 1.75 4.22 -8.04 2 4 0 47 270.38 2 ↓
Mid Mid (pH 6-8) 1.75 7.52 -84.46 4 4 2 50 272.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-propyl-benzimidazol-5-amine 1-[(1R,8R)-2,3,5,6,7,8-hexahydro…

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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) 2.25 7.53 -48.38 3 4 1 48 285.415 3 ↓
Hi High (pH 8-9.5) 2.25 5.09 -7.98 2 4 0 47 284.407 3 ↓
Mid Mid (pH 6-8) 2.25 7.92 -86.56 4 4 2 50 286.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-propyl-benzimidazol-5-amine 1-[(1S,8R)-2,3,5,6,7,8-hexahydro…

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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) 2.25 7.86 -46.52 3 4 1 48 285.415 3 ↓
Hi High (pH 8-9.5) 2.25 5.34 -8.41 2 4 0 47 284.407 3 ↓
Mid Mid (pH 6-8) 2.25 8.3 -85.23 4 4 2 50 286.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-isopropyl-benzimidazol-5-amine 1-[(1R,8R)-2,3,5,6,7,8-hexahydro…

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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 7.12 -48.61 3 4 1 48 285.415 2 ↓
Hi High (pH 8-9.5) 2.23 4.71 -8.26 2 4 0 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.23 7.73 -85.05 4 4 2 50 286.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-2-isopropyl-benzimidazol-5-amine 1-[(1S,8R)-2,3,5,6,7,8-hexahydro…

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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 7.52 -46.12 3 4 1 48 285.415 2 ↓
Hi High (pH 8-9.5) 2.23 5.01 -8.35 2 4 0 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.23 8.13 -83.58 4 4 2 50 286.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 5-chloro-1-[(1R,8R)-2,3,5,6,7,8-…

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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) 2.49 8.32 -49.02 3 4 1 48 277.779 1 ↓
Hi High (pH 8-9.5) 2.49 6.39 -7.17 2 4 0 47 276.771 1 ↓
Lo Low (pH 4.5-6) 2.49 8.79 -93.91 4 4 2 50 278.787 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 5-chloro-1-[(1S,8R)-2,3,5,6,7,8-…

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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) 2.49 8.67 -47.29 3 4 1 48 277.779 1 ↓
Hi High (pH 8-9.5) 2.49 6.18 -6.61 2 4 0 47 276.771 1 ↓
Lo Low (pH 4.5-6) 2.49 9.14 -93.41 4 4 2 50 278.787 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 5-fluoro-1-[(1R,8R)-2,3,5,6,7,8-…

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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 7.88 -50.13 3 4 1 48 261.324 1 ↓
Hi High (pH 8-9.5) 1.98 5.93 -7.7 2 4 0 47 260.316 1 ↓
Mid Mid (pH 6-8) 1.98 8.35 -94.26 4 4 2 50 262.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 5-fluoro-1-[(1S,8R)-2,3,5,6,7,8-…

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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 8.23 -48.4 3 4 1 48 261.324 1 ↓
Hi High (pH 8-9.5) 1.98 5.74 -7.26 2 4 0 47 260.316 1 ↓
Mid Mid (pH 6-8) 1.98 8.7 -93.9 4 4 2 50 262.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 5-bromo-1-[(1R,8R)-2,3,5,6,7,8-h…

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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 8.42 -48.87 3 4 1 48 322.23 1 ↓
Hi High (pH 8-9.5) 2.62 6.48 -7.06 2 4 0 47 321.222 1 ↓
Lo Low (pH 4.5-6) 2.62 8.89 -94.26 4 4 2 50 323.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 5-bromo-1-[(1S,8R)-2,3,5,6,7,8-h…

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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 8.78 -47.2 3 4 1 48 322.23 1 ↓
Hi High (pH 8-9.5) 2.62 6.29 -6.54 2 4 0 47 321.222 1 ↓
Lo Low (pH 4.5-6) 2.62 9.25 -93.85 4 4 2 50 323.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 7-chloro-1-[(1R,8R)-2,3,5,6,7,8-…

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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 7.99 -42.87 3 4 1 48 277.779 1 ↓
Hi High (pH 8-9.5) 2.47 5.55 -6.95 2 4 0 47 276.771 1 ↓
Lo Low (pH 4.5-6) 2.47 8.46 -88.48 4 4 2 50 278.787 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 7-chloro-1-[(1S,8R)-2,3,5,6,7,8-…

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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 8.49 -42.4 3 4 1 48 277.779 1 ↓
Hi High (pH 8-9.5) 2.47 6 -6.03 2 4 0 47 276.771 1 ↓
Lo Low (pH 4.5-6) 2.47 8.96 -87.99 4 4 2 50 278.787 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-methyl-benzimidazol-2-amine 1-[(1R,8R)-2,3,5,6,7,8-hexahydro…

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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 8.47 -47.43 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 2.26 6.54 -7.86 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 2.26 8.95 -88.96 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-methyl-benzimidazol-2-amine 1-[(1S,8R)-2,3,5,6,7,8-hexahydro…

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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 8.83 -45.74 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 2.26 6.34 -7.43 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 2.26 9.3 -88.56 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 4-fluoro-1-[(1R,8R)-2,3,5,6,7,8-…

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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) 1.96 7.88 -52.08 3 4 1 48 261.324 1 ↓
Hi High (pH 8-9.5) 1.96 5.93 -10.35 2 4 0 47 260.316 1 ↓
Lo Low (pH 4.5-6) 1.96 8.35 -92.49 4 4 2 50 262.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazol-2-amine 4-fluoro-1-[(1S,8R)-2,3,5,6,7,8-…

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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) 1.96 8.23 -50.13 3 4 1 48 261.324 1 ↓
Hi High (pH 8-9.5) 1.96 5.73 -10 2 4 0 47 260.316 1 ↓
Lo Low (pH 4.5-6) 1.96 8.7 -91.85 4 4 2 50 262.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(chloromethyl)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.37 9.23 -50.21 1 3 1 22 311.236 2 ↓
Hi High (pH 8-9.5) 3.37 6.81 -6.22 0 3 0 21 310.228 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(chloromethyl)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.37 9.61 -47.14 1 3 1 22 311.236 2 ↓
Hi High (pH 8-9.5) 3.37 7.11 -6.37 0 3 0 21 310.228 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-5-fluoro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 2-(chloromethyl)-5-fluoro-1-[(1R…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 8.79 -51.44 1 3 1 22 294.781 2 ↓
Hi High (pH 8-9.5) 2.86 6.36 -6.81 0 3 0 21 293.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-5-fluoro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 2-(chloromethyl)-5-fluoro-1-[(1S…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 9.17 -48.39 1 3 1 22 294.781 2 ↓
Hi High (pH 8-9.5) 2.86 6.67 -6.9 0 3 0 21 293.773 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(chloromethyl)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.35 9.18 -39.41 1 3 1 22 311.236 2 ↓
Hi High (pH 8-9.5) 3.35 6.77 -6.46 0 3 0 21 310.228 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(chloromethyl)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.35 9.12 -41.77 1 3 1 22 311.236 2 ↓
Hi High (pH 8-9.5) 3.35 6.62 -5.63 0 3 0 21 310.228 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-methyl-benzimidazole 2-(chloromethyl)-1-[(1R,8R)-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) 3.14 9.4 -48.53 1 3 1 22 290.818 2 ↓
Hi High (pH 8-9.5) 3.14 6.97 -6.93 0 3 0 21 289.81 2 ↓
Lo Low (pH 4.5-6) 3.14 9.84 -89.07 2 3 2 24 291.826 2 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-methyl-benzimidazole 2-(chloromethyl)-1-[(1S,8R)-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) 3.14 9.77 -45.43 1 3 1 22 290.818 2 ↓
Hi High (pH 8-9.5) 3.14 7.27 -7.29 0 3 0 21 289.81 2 ↓
Lo Low (pH 4.5-6) 3.14 10.21 -87.4 2 3 2 24 291.826 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.73 9.82 -49.56 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.73 7.4 -6.61 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.73 9.74 -52.26 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.73 7.3 -7.21 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.73 10.18 -49.64 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.73 7.67 -7.31 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.73 10.17 -49.79 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.73 7.67 -7.23 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 5-chloro-2-(2-chloroethyl)-1-[(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 9.98 -49.8 1 3 1 22 325.263 3 ↓
Hi High (pH 8-9.5) 3.58 7.54 -6.13 0 3 0 21 324.255 3 ↓
Lo Low (pH 4.5-6) 3.58 10.41 -95.56 2 3 2 24 326.271 3 ↓

Analogs

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Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 5-chloro-2-(2-chloroethyl)-1-[(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 10.37 -47.8 1 3 1 22 325.263 3 ↓
Hi High (pH 8-9.5) 3.58 7.85 -6.15 0 3 0 21 324.255 3 ↓
Lo Low (pH 4.5-6) 3.58 10.8 -94.74 2 3 2 24 326.271 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.22 9.38 -50.82 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.22 6.96 -7.27 0 3 0 21 307.8 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.22 9.3 -53.58 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.22 6.86 -7.89 0 3 0 21 307.8 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-fluoro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.22 9.74 -50.91 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.22 7.23 -7.81 0 3 0 21 307.8 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-fluoro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.22 9.73 -51.12 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.22 7.23 -7.73 0 3 0 21 307.8 2 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-fluoro-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.07 9.54 -51.08 1 3 1 22 308.808 3 ↓
Hi High (pH 8-9.5) 3.07 7.1 -6.79 0 3 0 21 307.8 3 ↓
Lo Low (pH 4.5-6) 3.07 9.97 -96.06 2 3 2 24 309.816 3 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-fluoro-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.07 9.92 -49.1 1 3 1 22 308.808 3 ↓
Hi High (pH 8-9.5) 3.07 7.41 -6.74 0 3 0 21 307.8 3 ↓
Lo Low (pH 4.5-6) 3.07 10.36 -95.29 2 3 2 24 309.816 3 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 2-(2-chloroethyl)-1-[(1R,8R)-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) 2.93 9.48 -47.72 1 3 1 22 290.818 3 ↓
Hi High (pH 8-9.5) 2.93 7.01 -6.61 0 3 0 21 289.81 3 ↓
Lo Low (pH 4.5-6) 2.93 9.91 -89.94 2 3 2 24 291.826 3 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 2-(2-chloroethyl)-1-[(1S,8R)-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) 2.93 9.85 -45.73 1 3 1 22 290.818 3 ↓
Hi High (pH 8-9.5) 2.93 7.34 -6.91 0 3 0 21 289.81 3 ↓
Lo Low (pH 4.5-6) 2.93 10.29 -89.06 2 3 2 24 291.826 3 ↓

Analogs

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Popular Name: 7-chloro-2-[(1S)-1-chloroethyl]-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.71 9.87 -39.11 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.71 7.46 -6.04 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 7-chloro-2-[(1R)-1-chloroethyl]-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.71 9.26 -44.91 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.71 6.83 -6.28 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 7-chloro-2-[(1S)-1-chloroethyl]-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.71 9.64 -43.19 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.71 7.14 -5.89 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 7-chloro-2-[(1R)-1-chloroethyl]-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]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) 3.71 9.65 -43.05 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.71 7.15 -6.37 0 3 0 21 324.255 2 ↓

Analogs

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Popular Name: 7-chloro-2-(2-chloroethyl)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 7-chloro-2-(2-chloroethyl)-1-[(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 9.85 -40 1 3 1 22 325.263 3 ↓
Hi High (pH 8-9.5) 3.56 7.41 -5.49 0 3 0 21 324.255 3 ↓
Lo Low (pH 4.5-6) 3.56 10.69 -87.96 2 3 2 24 326.271 3 ↓

Analogs

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Popular Name: 7-chloro-2-(2-chloroethyl)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]benzimidazole 7-chloro-2-(2-chloroethyl)-1-[(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 10.2 -37.84 1 3 1 22 325.263 3 ↓
Hi High (pH 8-9.5) 3.56 8.31 -6.27 0 3 0 21 324.255 3 ↓
Lo Low (pH 4.5-6) 3.56 10.63 -84.57 2 3 2 24 326.271 3 ↓

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