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Analogs

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Popular Name: 1-(cyclohexylmethyl)benzimidazol-5-amine 1-(cyclohexylmethyl)benzimidazol…

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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 7.5 -8.77 2 3 0 44 229.327 2 ↓
Mid Mid (pH 6-8) 2.84 7.98 -31.26 3 3 1 45 230.335 2 ↓

Analogs

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Popular Name: 1-(cyclohexylmethyl)-2-methyl-benzimidazol-5-amine 1-(cyclohexylmethyl)-2-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) 2.92 7.12 -9.42 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 2.92 7.56 -26.43 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-(cyclohexylmethyl)-2-ethyl-benzimidazol-5-amine 1-(cyclohexylmethyl)-2-ethyl-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) 3.50 7.7 -9.18 2 3 0 44 257.381 3 ↓
Mid Mid (pH 6-8) 3.50 8.6 -25.06 3 3 1 45 258.389 3 ↓

Analogs

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

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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) 3.98 8.64 -8.63 2 3 0 44 271.408 3 ↓
Mid Mid (pH 6-8) 3.98 9.21 -23.61 3 3 1 45 272.416 3 ↓

Analogs

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Popular Name: 1-(cyclohexylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(cyclohexylmethyl)-2-(trifluor…

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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) 3.84 7.66 -7.84 2 3 0 44 297.324 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]benzimidazol-5-amine 1-[(1S)-1-cyclohexylethyl]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) 3.20 8.33 -8.18 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 3.20 8.82 -28.91 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]benzimidazol-5-amine 1-[(1R)-1-cyclohexylethyl]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) 3.20 8.33 -8.16 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 3.20 8.82 -28.92 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-2-methyl-benzimidazol-5-amine 1-[(1S)-1-cyclohexylethyl]-2-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) 3.29 8.12 -9.08 2 3 0 44 257.381 2 ↓
Mid Mid (pH 6-8) 3.29 8.56 -25.74 3 3 1 45 258.389 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-2-methyl-benzimidazol-5-amine 1-[(1R)-1-cyclohexylethyl]-2-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) 3.29 8.12 -9.16 2 3 0 44 257.381 2 ↓
Mid Mid (pH 6-8) 3.29 8.56 -25.72 3 3 1 45 258.389 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-2-ethyl-benzimidazol-5-amine 1-[(1S)-1-cyclohexylethyl]-2-eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 8.65 -8.78 2 3 0 44 271.408 3 ↓
Mid Mid (pH 6-8) 3.86 9.1 -24.26 3 3 1 45 272.416 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-2-ethyl-benzimidazol-5-amine 1-[(1R)-1-cyclohexylethyl]-2-eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 8.76 -8.85 2 3 0 44 271.408 3 ↓
Mid Mid (pH 6-8) 3.86 8.99 -24.17 3 3 1 45 272.416 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylpropyl]benzimidazol-5-amine 1-[(1S)-1-cyclohexylpropyl]benzi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 9.27 -7.96 2 3 0 44 257.381 3 ↓
Mid Mid (pH 6-8) 3.70 9.76 -28.92 3 3 1 45 258.389 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylpropyl]benzimidazol-5-amine 1-[(1R)-1-cyclohexylpropyl]benzi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 9.24 -8.01 2 3 0 44 257.381 3 ↓
Mid Mid (pH 6-8) 3.70 9.73 -28.9 3 3 1 45 258.389 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylpropyl]-2-methyl-benzimidazol-5-amine 1-[(1S)-1-cyclohexylpropyl]-2-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) 3.79 7.9 -9.27 2 3 0 44 271.408 3 ↓
Mid Mid (pH 6-8) 3.79 8.34 -24.98 3 3 1 45 272.416 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylpropyl]-2-methyl-benzimidazol-5-amine 1-[(1R)-1-cyclohexylpropyl]-2-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) 3.79 9.01 -9.03 2 3 0 44 271.408 3 ↓
Mid Mid (pH 6-8) 3.79 9.45 -25.51 3 3 1 45 272.416 3 ↓

Analogs

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Popular Name: 1-[[(1S,2R)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 1-[[(1S,2R)-2-methylcyclohexyl]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) 3.08 7.83 -8.48 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 3.08 8.31 -31.01 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-[[(1S,2S)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 1-[[(1S,2S)-2-methylcyclohexyl]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) 3.08 8.04 -8.52 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 3.08 8.52 -31.09 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-[[(1R,2R)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 1-[[(1R,2R)-2-methylcyclohexyl]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) 3.08 7.97 -8.46 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 3.08 8.46 -31.02 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-[[(1R,2S)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 1-[[(1R,2S)-2-methylcyclohexyl]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) 3.08 7.76 -8.5 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 3.08 8.25 -31.33 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 2-methyl-1-[[(1R,2S)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 2-methyl-1-[[(1R,2S)-2-methylcyc…

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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) 3.17 7.82 -26.46 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 3.17 7.39 -9.2 2 3 0 44 257.381 2 ↓

Analogs

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Popular Name: 2-methyl-1-[[(1S,2S)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 2-methyl-1-[[(1S,2S)-2-methylcyc…

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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) 3.17 8.34 -26.39 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 3.17 7.91 -8.95 2 3 0 44 257.381 2 ↓

Analogs

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Popular Name: 2-methyl-1-[[(1R,2R)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 2-methyl-1-[[(1R,2R)-2-methylcyc…

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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) 3.17 8.04 -26.5 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 3.17 7.6 -9.14 2 3 0 44 257.381 2 ↓

Analogs

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Popular Name: 2-methyl-1-[[(1S,2R)-2-methylcyclohexyl]methyl]benzimidazol-5-amine 2-methyl-1-[[(1S,2R)-2-methylcyc…

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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) 3.17 8.13 -26.58 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 3.17 7.7 -9.04 2 3 0 44 257.381 2 ↓

Analogs

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Popular Name: 1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine 1-[(4-ethylcyclohexyl)methyl]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 8.76 -8.67 2 3 0 44 257.381 3 ↓
Mid Mid (pH 6-8) 3.29 9.24 -31.37 3 3 1 45 258.389 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]benzimidazol-2-amine 1-[(1S)-1-cyclohexylethyl]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) 3.95 10.5 -25.4 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]benzimidazol-2-amine 1-[(1R)-1-cyclohexylethyl]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) 3.95 10.5 -25.42 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-5-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclohexylethyl]-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) 4.09 10.57 -28.29 3 3 1 45 262.352 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-5-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclohexylethyl]-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) 4.09 10.57 -28.31 3 3 1 45 262.352 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-5-methyl-benzimidazol-2-amine 1-[(1S)-1-cyclohexylethyl]-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) 4.38 11.17 -25.18 3 3 1 45 258.389 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-5-methyl-benzimidazol-2-amine 1-[(1R)-1-cyclohexylethyl]-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) 4.38 11.17 -25.15 3 3 1 45 258.389 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-4-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclohexylethyl]-4-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) 4.07 10.11 -10.95 2 3 0 44 261.344 2 ↓
Mid Mid (pH 6-8) 4.07 10.58 -26.64 3 3 1 45 262.352 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-4-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclohexylethyl]-4-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) 4.07 10.11 -10.95 2 3 0 44 261.344 2 ↓
Mid Mid (pH 6-8) 4.07 10.58 -26.61 3 3 1 45 262.352 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-6-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclohexylethyl]-6-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) 4.09 10.57 -28.75 3 3 1 45 262.352 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-6-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclohexylethyl]-6-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) 4.09 10.58 -28.72 3 3 1 45 262.352 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylpropyl]-5-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclohexylpropyl]-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) 4.59 11.43 -28.24 3 3 1 45 276.379 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylpropyl]-5-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclohexylpropyl]-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) 4.59 11.5 -28.24 3 3 1 45 276.379 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylpropyl]-4-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclohexylpropyl]-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) 4.57 10.95 -10.89 2 3 0 44 275.371 3 ↓
Mid Mid (pH 6-8) 4.57 11.43 -26.52 3 3 1 45 276.379 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylpropyl]-4-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclohexylpropyl]-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) 4.57 11.04 -10.91 2 3 0 44 275.371 3 ↓
Mid Mid (pH 6-8) 4.57 11.51 -26.53 3 3 1 45 276.379 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylpropyl]-6-fluoro-benzimidazol-2-amine 1-[(1S)-1-cyclohexylpropyl]-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) 4.59 11.43 -28.74 3 3 1 45 276.379 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylpropyl]-6-fluoro-benzimidazol-2-amine 1-[(1R)-1-cyclohexylpropyl]-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) 4.59 11.51 -28.73 3 3 1 45 276.379 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]-2-methyl-benzimidazole-5-carboxylic 1-[(1S)-1-cyclohexylethyl]-2-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) 4.12 10.78 -57.79 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 4.12 11.23 -54.51 1 4 0 59 286.375 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclohexylethyl]-2-methyl-benzimidazole-5-carboxylic 1-[(1R)-1-cyclohexylethyl]-2-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) 4.12 10.78 -57.74 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 4.12 11.22 -54.36 1 4 0 59 286.375 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]benzimidazole-5-carboxylic 1-[(1S)-1-cyclohexylethyl]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) 4.04 11 -55.58 0 4 -1 58 271.34 3 ↓
Mid Mid (pH 6-8) 4.04 11.5 -57.87 1 4 0 59 272.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylethyl]benzimidazole-5-carboxylic 1-[(1R)-1-cyclohexylethyl]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) 4.04 11 -55.56 0 4 -1 58 271.34 3 ↓
Mid Mid (pH 6-8) 4.04 11.49 -57.86 1 4 0 59 272.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methylbenzimidazol-1-yl)methyl]cyclohexanol 1-[(2-methylbenzimidazol-1-yl)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) 2.93 6.59 -7.65 1 3 0 38 244.338 2 ↓
Mid Mid (pH 6-8) 2.93 7.03 -27.97 2 3 1 39 245.346 2 ↓

Parameters Provided:

ring.id = 28098
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 = 28098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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