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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: 5-[[2-(dimethylaminomethyl)benzimidazol-1-yl]methyl]furan-2-carboxylic 5-[[2-(dimethylaminomethyl)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) 2.07 9.5 -63.47 1 6 0 76 299.33 5 ↓
Mid Mid (pH 6-8) 2.07 7.8 -51.43 1 6 0 76 299.33 5 ↓
Mid Mid (pH 6-8) 2.07 7.34 -52.11 0 6 -1 74 298.322 5 ↓

Analogs

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

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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) 1.40 5.73 -11.54 2 4 0 57 213.24 2 ↓
Mid Mid (pH 6-8) 1.40 6.22 -34.36 3 4 1 58 214.248 2 ↓

Analogs

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Popular Name: 1-(2-furylmethyl)-2-methyl-benzimidazol-5-amine 1-(2-furylmethyl)-2-methyl-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) 1.49 5.55 -11.46 2 4 0 57 227.267 2 ↓
Mid Mid (pH 6-8) 1.49 5.99 -27.56 3 4 1 58 228.275 2 ↓

Analogs

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Popular Name: 2-ethyl-1-(2-furylmethyl)benzimidazol-5-amine 2-ethyl-1-(2-furylmethyl)benzimi…

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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) 2.06 6.15 -11.07 2 4 0 57 241.294 3 ↓
Mid Mid (pH 6-8) 2.06 6.55 -26.54 3 4 1 58 242.302 3 ↓

Analogs

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Popular Name: 1-(2-furylmethyl)-2-propyl-benzimidazol-5-amine 1-(2-furylmethyl)-2-propyl-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) 2.56 6.93 -10.77 2 4 0 57 255.321 4 ↓
Mid Mid (pH 6-8) 2.56 7.32 -26.4 3 4 1 58 256.329 4 ↓

Analogs

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Popular Name: 1-(2-furylmethyl)-2-isopropyl-benzimidazol-5-amine 1-(2-furylmethyl)-2-isopropyl-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) 2.54 6.57 -10.77 2 4 0 57 255.321 3 ↓
Mid Mid (pH 6-8) 2.54 7.14 -24.95 3 4 1 58 256.329 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-(2-furylmethyl)benzimidazol-5-amine 2-tert-butyl-1-(2-furylmethyl)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) 3.21 6.91 -10.73 2 4 0 57 269.348 3 ↓
Mid Mid (pH 6-8) 3.21 7.31 -23.86 3 4 1 58 270.356 3 ↓

Analogs

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Popular Name: 1-(2-furylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(2-furylmethyl)-2-(trifluorome…

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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) 2.40 5.8 -10.76 2 4 0 57 281.237 3 ↓

Analogs

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

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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) 1.76 6.02 -10.12 2 4 0 57 227.267 2 ↓
Mid Mid (pH 6-8) 1.76 6.5 -27.57 3 4 1 58 228.275 2 ↓

Analogs

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

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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) 1.76 6.02 -10.11 2 4 0 57 227.267 2 ↓
Mid Mid (pH 6-8) 1.76 6.5 -27.55 3 4 1 58 228.275 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[(1S)-1-(2-furyl)ethyl]-2-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) 1.85 5.88 -11.54 2 4 0 57 241.294 2 ↓
Mid Mid (pH 6-8) 1.85 6.32 -28.16 3 4 1 58 242.302 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-2-methyl-benzimidazol-5-amine 1-[(1R)-1-(2-furyl)ethyl]-2-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) 1.85 5.89 -11.47 2 4 0 57 241.294 2 ↓
Mid Mid (pH 6-8) 1.85 6.33 -28.22 3 4 1 58 242.302 2 ↓

Analogs

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

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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 6.5 -11.1 2 4 0 57 255.321 3 ↓
Mid Mid (pH 6-8) 2.42 6.92 -26.4 3 4 1 58 256.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 6.48 -11.01 2 4 0 57 255.321 3 ↓
Mid Mid (pH 6-8) 2.42 6.92 -26.56 3 4 1 58 256.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1S)-1-(2-furyl)ethyl]-2-prop…

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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 7.27 -10.72 2 4 0 57 269.348 4 ↓
Mid Mid (pH 6-8) 2.93 7.7 -26.24 3 4 1 58 270.356 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1R)-1-(2-furyl)ethyl]-2-prop…

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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 7.27 -10.65 2 4 0 57 269.348 4 ↓
Mid Mid (pH 6-8) 2.93 7.7 -26.44 3 4 1 58 270.356 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-2-isopropyl-benzimidazol-5-amine 1-[(1S)-1-(2-furyl)ethyl]-2-isop…

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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) 2.91 6.95 -10.65 2 4 0 57 269.348 3 ↓
Mid Mid (pH 6-8) 2.91 7.53 -24.68 3 4 1 58 270.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-2-isopropyl-benzimidazol-5-amine 1-[(1R)-1-(2-furyl)ethyl]-2-isop…

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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) 2.91 6.96 -10.65 2 4 0 57 269.348 3 ↓
Mid Mid (pH 6-8) 2.91 7.54 -24.71 3 4 1 58 270.356 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(1S)-1-(2-furyl)ethyl]benzimidazol-5-amine 2-tert-butyl-1-[(1S)-1-(2-furyl)…

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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 7.2 -10.67 2 4 0 57 283.375 3 ↓
Mid Mid (pH 6-8) 3.58 7.56 -23.16 3 4 1 58 284.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-1-[(1R)-1-(2-furyl)ethyl]benzimidazol-5-amine 2-tert-butyl-1-[(1R)-1-(2-furyl)…

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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 7.21 -10.67 2 4 0 57 283.375 3 ↓
Mid Mid (pH 6-8) 3.58 7.56 -23.16 3 4 1 58 284.383 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-furyl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1S)-1-(2-furyl)ethyl]-2-(tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 6.17 -8.73 2 4 0 57 295.264 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-furyl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1R)-1-(2-furyl)ethyl]-2-(tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 6.16 -8.74 2 4 0 57 295.264 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 1-[(1R)-1-(5-methyl-2-furyl)ethy…

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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) 1.99 6.84 -10.14 2 4 0 57 241.294 2 ↓
Mid Mid (pH 6-8) 1.99 7.32 -27.2 3 4 1 58 242.302 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 1-[(1S)-1-(5-methyl-2-furyl)ethy…

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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) 1.99 6.84 -10.17 2 4 0 57 241.294 2 ↓
Mid Mid (pH 6-8) 1.99 7.32 -27.21 3 4 1 58 242.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1R)-1-(5-methyl-2-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) 2.07 6.7 -11.7 2 4 0 57 255.321 2 ↓
Mid Mid (pH 6-8) 2.07 7.14 -28.3 3 4 1 58 256.329 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(1S)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1S)-1-(5-methyl-2-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) 2.07 6.69 -11.65 2 4 0 57 255.321 2 ↓
Mid Mid (pH 6-8) 2.07 7.13 -28.36 3 4 1 58 256.329 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1S)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-1-(5-methyl-2-fu…

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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) 2.65 7.32 -11.3 2 4 0 57 269.348 3 ↓
Mid Mid (pH 6-8) 2.65 7.74 -26.42 3 4 1 58 270.356 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1R)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-1-(5-methyl-2-fu…

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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) 2.65 7.3 -11.18 2 4 0 57 269.348 3 ↓
Mid Mid (pH 6-8) 2.65 7.74 -26.66 3 4 1 58 270.356 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(5-methyl-2-furyl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1S)-1-(5-methyl-2-furyl)ethy…

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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) 3.15 8.09 -10.97 2 4 0 57 283.375 4 ↓
Mid Mid (pH 6-8) 3.15 8.52 -26.32 3 4 1 58 284.383 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(5-methyl-2-furyl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1R)-1-(5-methyl-2-furyl)ethy…

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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) 3.15 8.09 -10.77 2 4 0 57 283.375 4 ↓
Mid Mid (pH 6-8) 3.15 8.52 -26.43 3 4 1 58 284.383 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1R)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1R)-1-(5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 7.78 -10.76 2 4 0 57 283.375 3 ↓
Mid Mid (pH 6-8) 3.13 8.36 -24.71 3 4 1 58 284.383 3 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1S)-1-(5-methyl-2-furyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1S)-1-(5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 7.77 -10.8 2 4 0 57 283.375 3 ↓
Mid Mid (pH 6-8) 3.13 8.35 -24.68 3 4 1 58 284.383 3 ↓

Analogs

36984002
36984002

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 8.69 -14.88 0 5 0 57 256.261 4 ↓

Analogs

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Popular Name: 1-[2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-furyl]-N-methyl-methanamine 1-[2-[(5,6-dimethylbenzimidazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 8.89 -53.49 2 4 1 48 270.356 4 ↓
Mid Mid (pH 6-8) 2.64 9.36 -108.11 3 4 2 49 271.364 4 ↓

Analogs

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Popular Name: N-[[2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-furyl]methyl]ethanamine N-[[2-[(5,6-dimethylbenzimidazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 9.73 -52.46 2 4 1 48 284.383 5 ↓
Mid Mid (pH 6-8) 3.01 10.21 -108.46 3 4 2 49 285.391 5 ↓

Analogs

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Popular Name: 1-[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methyl-3-furyl]-N-methyl-methanamine 1-[5-[(5,6-dimethylbenzimidazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 9.85 -46.85 2 4 1 48 284.383 4 ↓
Mid Mid (pH 6-8) 2.86 10.33 -90.84 3 4 2 49 285.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 9.21 -47.97 2 4 1 48 270.356 4 ↓
Mid Mid (pH 6-8) 2.95 9.69 -86.02 3 4 2 49 271.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 10.05 -47.12 2 4 1 48 284.383 5 ↓
Mid Mid (pH 6-8) 3.32 10.53 -85.77 3 4 2 49 285.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 7.34 -53.48 3 4 1 59 256.329 3 ↓
Mid Mid (pH 6-8) 2.57 7.81 -90.99 4 4 2 60 257.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methyl-3-furyl]methanamine [5-[(5,6-dimethylbenzimidazol-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 7.98 -52.12 3 4 1 59 270.356 3 ↓
Hi High (pH 8-9.5) 2.48 7.56 -11.26 2 4 0 57 269.348 3 ↓
Mid Mid (pH 6-8) 2.48 8.46 -95.87 4 4 2 60 271.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-furyl]methanamine [2-[(5,6-dimethylbenzimidazol-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.01 -59.72 3 4 1 59 256.329 3 ↓
Hi High (pH 8-9.5) 2.26 6.62 -10.9 2 4 0 57 255.321 3 ↓
Mid Mid (pH 6-8) 2.26 7.49 -114.32 4 4 2 60 257.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-methyl-2-furyl]methanamine [5-[(5,6-dimethylbenzimidazol-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 7.94 -53.72 3 4 1 59 270.356 3 ↓
Mid Mid (pH 6-8) 2.95 8.42 -90.88 4 4 2 60 271.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-furyl]methanamine [5-[(5,6-dimethylbenzimidazol-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 7.17 -53.64 3 4 1 59 256.329 3 ↓
Hi High (pH 8-9.5) 2.26 6.77 -11.03 2 4 0 57 255.321 3 ↓
Mid Mid (pH 6-8) 2.26 7.65 -94.43 4 4 2 60 257.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-furyl]-N-methyl-methanamine 1-[5-[(5,6-dimethylbenzimidazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.64 9.04 -48.51 2 4 1 48 270.356 4 ↓
Mid Mid (pH 6-8) 2.64 9.52 -89.65 3 4 2 49 271.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-furyl]methyl]ethanamine N-[[5-[(5,6-dimethylbenzimidazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 9.89 -45.85 2 4 1 48 284.383 5 ↓
Mid Mid (pH 6-8) 3.01 10.36 -90.79 3 4 2 49 285.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-[(5,6-dimethylbenzimidazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 9.81 -48.09 2 4 1 48 284.383 4 ↓
Mid Mid (pH 6-8) 3.33 10.29 -85.79 3 4 2 49 285.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(benzimidazol-1-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[2-(benzimidazol-1-ylmethyl)-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) 1.84 7.65 -53.48 2 4 1 48 242.302 4 ↓
Lo Low (pH 4.5-6) 1.84 8.13 -107.6 3 4 2 49 243.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(benzimidazol-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(benzimidazol-1-ylmethyl)-…

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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) 2.21 8.52 -52.4 2 4 1 48 256.329 5 ↓
Lo Low (pH 4.5-6) 2.21 9 -107.94 3 4 2 49 257.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(benzimidazol-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-(benzimidazol-1-ylmethyl)-…

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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) 2.71 9.26 -53.4 2 4 1 48 270.356 6 ↓
Lo Low (pH 4.5-6) 2.71 9.75 -109.76 3 4 2 49 271.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(benzimidazol-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(benzimidazol-1-ylmethyl)-…

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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) 2.51 9.05 -50.86 2 4 1 48 270.356 5 ↓
Lo Low (pH 4.5-6) 2.51 9.53 -104.64 3 4 2 49 271.364 5 ↓

Parameters Provided:

ring.id = 26938
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 = 26938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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