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

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Popular Name: 1-(cyclopentylmethyl)benzimidazol-5-amine 1-(cyclopentylmethyl)benzimidazo…

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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) 2.33 7.21 -8.83 2 3 0 44 215.3 2 ↓
Mid Mid (pH 6-8) 2.33 7.7 -30.94 3 3 1 45 216.308 2 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-2-methyl-benzimidazol-5-amine 1-(cyclopentylmethyl)-2-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) 2.42 6.88 -9.36 2 3 0 44 229.327 2 ↓
Mid Mid (pH 6-8) 2.42 7.32 -26.37 3 3 1 45 230.335 2 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-2-ethyl-benzimidazol-5-amine 1-(cyclopentylmethyl)-2-ethyl-be…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 7.36 -9.08 2 3 0 44 243.354 3 ↓
Mid Mid (pH 6-8) 2.99 7.93 -24.75 3 3 1 45 244.362 3 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-2-propyl-benzimidazol-5-amine 1-(cyclopentylmethyl)-2-propyl-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) 3.50 8.13 -8.83 2 3 0 44 257.381 4 ↓
Mid Mid (pH 6-8) 3.50 8.72 -24.81 3 3 1 45 258.389 4 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-2-isopropyl-benzimidazol-5-amine 1-(cyclopentylmethyl)-2-isopropy…

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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 7.99 -8.69 2 3 0 44 257.381 3 ↓
Mid Mid (pH 6-8) 3.48 8.56 -23.4 3 3 1 45 258.389 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine 2-tert-butyl-1-(cyclopentylmethy…

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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) 4.14 7.96 -8.88 2 3 0 44 271.408 3 ↓
Mid Mid (pH 6-8) 4.14 8.37 -22.33 3 3 1 45 272.416 3 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(cyclopentylmethyl)-2-(trifluo…

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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) 3.33 6.85 -7.79 2 3 0 44 283.297 3 ↓

Analogs

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Popular Name: 2-[1-[(1S)-1-cyclopentylethyl]benzimidazol-2-yl]sulfanylacetic 2-[1-[(1S)-1-cyclopentylethyl]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) 3.81 10.69 -49.24 0 4 -1 58 303.407 5 ↓
Lo Low (pH 4.5-6) 3.81 11.15 -36.47 1 4 0 59 304.415 5 ↓

Analogs

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Popular Name: 2-[1-[(1R)-1-cyclopentylethyl]benzimidazol-2-yl]sulfanylacetic 2-[1-[(1R)-1-cyclopentylethyl]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) 3.81 10.6 -49.25 0 4 -1 58 303.407 5 ↓
Lo Low (pH 4.5-6) 3.81 11.06 -36.56 1 4 0 59 304.415 5 ↓

Analogs

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Popular Name: 5-chloro-1-[(1S)-1-cyclopentylethyl]benzimidazol-2-amine 5-chloro-1-[(1S)-1-cyclopentylet…

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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) 4.10 9.85 -7.69 2 3 0 44 263.772 2 ↓
Mid Mid (pH 6-8) 4.10 10.32 -27.64 3 3 1 45 264.78 2 ↓

Analogs

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Popular Name: 5-chloro-1-[(1R)-1-cyclopentylethyl]benzimidazol-2-amine 5-chloro-1-[(1R)-1-cyclopentylet…

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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) 4.10 9.74 -7.66 2 3 0 44 263.772 2 ↓
Mid Mid (pH 6-8) 4.10 10.21 -27.68 3 3 1 45 264.78 2 ↓

Analogs

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Popular Name: 7-chloro-1-[(1S)-1-cyclopentylethyl]benzimidazol-2-amine 7-chloro-1-[(1S)-1-cyclopentylet…

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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) 4.08 9.57 -7.08 2 3 0 44 263.772 2 ↓
Mid Mid (pH 6-8) 4.08 10.05 -27.24 3 3 1 45 264.78 2 ↓

Analogs

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Popular Name: 7-chloro-1-[(1R)-1-cyclopentylethyl]benzimidazol-2-amine 7-chloro-1-[(1R)-1-cyclopentylet…

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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) 4.08 9.55 -7.09 2 3 0 44 263.772 2 ↓
Mid Mid (pH 6-8) 4.08 10.02 -27.28 3 3 1 45 264.78 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-5-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclopentylethyl]-5-fl…

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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) 3.59 9.88 -28.08 3 3 1 45 248.325 2 ↓
Mid Mid (pH 6-8) 3.59 9.41 -8.29 2 3 0 44 247.317 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-5-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclopentylethyl]-5-fl…

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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) 3.59 9.77 -28.07 3 3 1 45 248.325 2 ↓
Mid Mid (pH 6-8) 3.59 9.3 -8.26 2 3 0 44 247.317 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-4-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclopentylethyl]-4-fl…

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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 9.4 -10.92 2 3 0 44 247.317 2 ↓
Mid Mid (pH 6-8) 3.56 9.87 -26.38 3 3 1 45 248.325 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-4-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclopentylethyl]-4-fl…

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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 9.4 -11.08 2 3 0 44 247.317 2 ↓
Mid Mid (pH 6-8) 3.56 9.87 -26.48 3 3 1 45 248.325 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-6,7-difluoro-benzimidazol-2-amine 1-[(1S)-1-cyclopentylethyl]-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) 3.68 9.38 -7.58 2 3 0 44 265.307 2 ↓
Mid Mid (pH 6-8) 3.68 9.85 -32.19 3 3 1 45 266.315 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-6,7-difluoro-benzimidazol-2-amine 1-[(1R)-1-cyclopentylethyl]-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) 3.68 9.28 -7.43 2 3 0 44 265.307 2 ↓
Mid Mid (pH 6-8) 3.68 9.75 -32.23 3 3 1 45 266.315 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-5-methyl-benzimidazol-2-amine 1-[(1S)-1-cyclopentylethyl]-5-me…

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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) 3.87 10.48 -25.01 3 3 1 45 244.362 2 ↓
Hi High (pH 8-9.5) 3.87 10.01 -8.46 2 3 0 44 243.354 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-5-methyl-benzimidazol-2-amine 1-[(1R)-1-cyclopentylethyl]-5-me…

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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) 3.87 10.47 -25.11 3 3 1 45 244.362 2 ↓
Hi High (pH 8-9.5) 3.87 10 -8.54 2 3 0 44 243.354 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-5-fluoro-6-methoxy-benzimidazol-2-amine 1-[(1S)-1-cyclopentylethyl]-5-fl…

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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) 3.57 9.17 -30.88 3 4 1 54 278.351 3 ↓
Mid Mid (pH 6-8) 3.57 8.7 -9.67 2 4 0 53 277.343 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-5-fluoro-6-methoxy-benzimidazol-2-amine 1-[(1R)-1-cyclopentylethyl]-5-fl…

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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) 3.57 9.16 -31.01 3 4 1 54 278.351 3 ↓
Mid Mid (pH 6-8) 3.57 8.7 -9.8 2 4 0 53 277.343 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-6-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclopentylethyl]-6-fl…

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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) 3.59 9.87 -28.55 3 3 1 45 248.325 2 ↓
Mid Mid (pH 6-8) 3.59 9.4 -6.98 2 3 0 44 247.317 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-6-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclopentylethyl]-6-fl…

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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) 3.59 9.77 -28.54 3 3 1 45 248.325 2 ↓
Mid Mid (pH 6-8) 3.59 9.29 -6.89 2 3 0 44 247.317 2 ↓

Analogs

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Popular Name: 5-bromo-2-[(1S)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]benzimidazole 5-bromo-2-[(1S)-1-chloroethyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.47 11.11 -7.6 0 2 0 18 355.707 3 ↓
Lo Low (pH 4.5-6) 5.47 11.61 -26 1 2 1 19 356.715 3 ↓

Analogs

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Popular Name: 5-bromo-2-[(1R)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]benzimidazole 5-bromo-2-[(1R)-1-chloroethyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.47 10.99 -7.37 0 2 0 18 355.707 3 ↓
Lo Low (pH 4.5-6) 5.47 11.32 -26.71 1 2 1 19 356.715 3 ↓

Analogs

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Popular Name: 5-bromo-2-[(1S)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]benzimidazole 5-bromo-2-[(1S)-1-chloroethyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.47 10.97 -7.34 0 2 0 18 355.707 3 ↓
Lo Low (pH 4.5-6) 5.47 11.54 -25.97 1 2 1 19 356.715 3 ↓

Analogs

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Popular Name: 5-bromo-2-[(1R)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]benzimidazole 5-bromo-2-[(1R)-1-chloroethyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.47 11.16 -7.73 0 2 0 18 355.707 3 ↓
Lo Low (pH 4.5-6) 5.47 11.19 -26.61 1 2 1 19 356.715 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]-6-fluoro-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) 4.83 10.56 -6.87 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.83 11.06 -26.49 1 2 1 19 295.809 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]-6-fluoro-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) 4.83 10.44 -6.67 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.83 10.77 -28.13 1 2 1 19 295.809 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]-6-fluoro-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) 4.83 10.42 -6.74 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.83 10.99 -26.57 1 2 1 19 295.809 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]-6-fluoro-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) 4.83 10.6 -6.96 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.83 10.64 -28.03 1 2 1 19 295.809 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1S)-1-cyclopentylethyl]-5-fluoro-6-methoxy-benzimidazole 2-(chloromethyl)-1-[(1S)-1-cyclo…

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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) 4.45 9.39 -9.24 0 3 0 27 310.8 4 ↓
Lo Low (pH 4.5-6) 4.45 9.83 -31.76 1 3 1 28 311.808 4 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1R)-1-cyclopentylethyl]-5-fluoro-6-methoxy-benzimidazole 2-(chloromethyl)-1-[(1R)-1-cyclo…

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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) 4.45 9.26 -8.87 0 3 0 27 310.8 4 ↓
Lo Low (pH 4.5-6) 4.45 9.71 -31.7 1 3 1 28 311.808 4 ↓

Analogs

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Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]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) 5.34 11.01 -7.66 0 2 0 18 311.256 3 ↓
Lo Low (pH 4.5-6) 5.34 11.51 -25.87 1 2 1 19 312.264 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]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) 5.34 10.88 -7.45 0 2 0 18 311.256 3 ↓
Lo Low (pH 4.5-6) 5.34 11.22 -26.6 1 2 1 19 312.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(1S)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]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) 5.34 10.86 -7.48 0 2 0 18 311.256 3 ↓
Lo Low (pH 4.5-6) 5.34 11.43 -25.85 1 2 1 19 312.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(1R)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]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) 5.34 11.04 -7.84 0 2 0 18 311.256 3 ↓
Lo Low (pH 4.5-6) 5.34 11.09 -26.46 1 2 1 19 312.264 3 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-1-[(1S)-1-cyclopentylethyl]-5-fluoro-benzimidazole 2-(2-chloroethyl)-1-[(1S)-1-cycl…

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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) 4.67 10.8 -6.89 0 2 0 18 294.801 4 ↓
Lo Low (pH 4.5-6) 4.67 11.2 -30.18 1 2 1 19 295.809 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloroethyl)-1-[(1R)-1-cyclopentylethyl]-5-fluoro-benzimidazole 2-(2-chloroethyl)-1-[(1R)-1-cycl…

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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) 4.67 10.73 -7.02 0 2 0 18 294.801 4 ↓
Lo Low (pH 4.5-6) 4.67 11.14 -30.16 1 2 1 19 295.809 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]-4-fluoro-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) 4.80 10.57 -11.13 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.80 11.06 -25.47 1 2 1 19 295.809 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-1-[(1S)-1-cyclopentylethyl]-4-fluoro-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) 4.80 10.43 -10.84 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.80 10.77 -25.16 1 2 1 19 295.809 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]-4-fluoro-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) 4.80 10.42 -10.84 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.80 10.98 -25.45 1 2 1 19 295.809 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-chloroethyl]-1-[(1R)-1-cyclopentylethyl]-4-fluoro-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) 4.80 10.52 -11.11 0 2 0 18 294.801 3 ↓
Lo Low (pH 4.5-6) 4.80 10.59 -24.95 1 2 1 19 295.809 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1S)-1-cyclopentylethyl]-6,7-difluoro-benzimidazole 2-(chloromethyl)-1-[(1S)-1-cyclo…

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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) 4.55 9.92 -6.93 0 2 0 18 298.764 3 ↓
Lo Low (pH 4.5-6) 4.55 10.35 -33.2 1 2 1 19 299.772 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[(1R)-1-cyclopentylethyl]-6,7-difluoro-benzimidazole 2-(chloromethyl)-1-[(1R)-1-cyclo…

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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) 4.55 9.89 -6.76 0 2 0 18 298.764 3 ↓
Lo Low (pH 4.5-6) 4.55 10.32 -33.33 1 2 1 19 299.772 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1S)-1-cyclopentylethyl]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) 5.19 11.24 -6.27 0 2 0 18 311.256 4 ↓
Lo Low (pH 4.5-6) 5.19 11.64 -29.8 1 2 1 19 312.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(2-chloroethyl)-1-[(1R)-1-cyclopentylethyl]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) 5.19 11.17 -6.44 0 2 0 18 311.256 4 ↓
Lo Low (pH 4.5-6) 5.19 11.59 -29.72 1 2 1 19 312.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-1-[(1S)-1-cyclopentylethyl]-5-methyl-benzimidazole 2-(chloromethyl)-1-[(1S)-1-cyclo…

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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) 4.75 10.6 -7.63 0 2 0 18 276.811 3 ↓
Lo Low (pH 4.5-6) 4.75 11.03 -26.28 1 2 1 19 277.819 3 ↓

Parameters Provided:

ring.id = 28106
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 28106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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