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Analogs

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Popular Name: 1-(2-pyridylmethyl)benzimidazol-5-amine 1-(2-pyridylmethyl)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) 0.97 5.82 -12.74 2 4 0 57 224.267 2 ↓
Mid Mid (pH 6-8) 0.97 6.31 -33.43 3 4 1 58 225.275 2 ↓

Analogs

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Popular Name: 2-methyl-1-(2-pyridylmethyl)benzimidazol-5-amine 2-methyl-1-(2-pyridylmethyl)benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 5.73 -12.55 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.06 6.17 -26.08 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: 2-ethyl-1-(2-pyridylmethyl)benzimidazol-5-amine 2-ethyl-1-(2-pyridylmethyl)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) 1.63 6.34 -12.36 2 4 0 57 252.321 3 ↓
Mid Mid (pH 6-8) 1.63 7.11 -24.89 3 4 1 58 253.329 3 ↓

Analogs

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Popular Name: 2-propyl-1-(2-pyridylmethyl)benzimidazol-5-amine 2-propyl-1-(2-pyridylmethyl)benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 7.12 -12.06 2 4 0 57 266.348 4 ↓
Mid Mid (pH 6-8) 2.14 7.89 -24.86 3 4 1 58 267.356 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-(2-pyridylmethyl)benzimidazol-5-amine 2-isopropyl-1-(2-pyridylmethyl)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) 2.12 6.67 -11.76 2 4 0 57 266.348 3 ↓
Mid Mid (pH 6-8) 2.12 7.71 -23.63 3 4 1 58 267.356 3 ↓

Analogs

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

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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) 2.79 7.66 -11.74 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 2.79 8.02 -22.57 3 4 1 58 281.383 3 ↓

Analogs

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Popular Name: 1-(2-pyridylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(2-pyridylmethyl)-2-(trifluoro…

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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) 1.97 6.4 -12.78 2 4 0 57 292.264 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-pyridyl)ethyl]benzimidazol-5-amine 1-[(1S)-1-(2-pyridyl)ethyl]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) 1.34 5.87 -11.67 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.34 6.36 -31.19 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-pyridyl)ethyl]benzimidazol-5-amine 1-[(1R)-1-(2-pyridyl)ethyl]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) 1.34 5.87 -11.58 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.34 6.36 -31.1 3 4 1 58 239.302 2 ↓

Analogs

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

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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) 1.42 5.58 -11.83 2 4 0 57 252.321 2 ↓
Mid Mid (pH 6-8) 1.42 6.02 -25.91 3 4 1 58 253.329 2 ↓

Analogs

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

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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) 1.42 5.58 -11.83 2 4 0 57 252.321 2 ↓
Mid Mid (pH 6-8) 1.42 6.01 -25.91 3 4 1 58 253.329 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1S)-1-(2-pyridyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-1-(2-pyridyl)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) 2.00 6.18 -11.46 2 4 0 57 266.348 3 ↓
Mid Mid (pH 6-8) 2.00 6.59 -24.45 3 4 1 58 267.356 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1R)-1-(2-pyridyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-1-(2-pyridyl)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) 2.00 6.17 -11.54 2 4 0 57 266.348 3 ↓
Mid Mid (pH 6-8) 2.00 6.6 -24.8 3 4 1 58 267.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.50 6.98 -11.21 2 4 0 57 280.375 4 ↓
Mid Mid (pH 6-8) 2.50 7.37 -24.44 3 4 1 58 281.383 4 ↓

Analogs

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

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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) 2.50 7.06 -11.87 2 4 0 57 280.375 4 ↓
Mid Mid (pH 6-8) 2.50 7.38 -24.72 3 4 1 58 281.383 4 ↓

Analogs

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

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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 6.63 -11.3 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 2.48 7.2 -23.31 3 4 1 58 281.383 3 ↓

Analogs

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

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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 6.64 -11.24 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 2.48 7.2 -23.3 3 4 1 58 281.383 3 ↓

Analogs

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Popular Name: 1-[(6-methyl-2-pyridyl)methyl]benzimidazol-5-amine 1-[(6-methyl-2-pyridyl)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) 1.03 6.42 -12.81 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.03 6.91 -33.42 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(6-methyl-2-pyridyl)methyl]benzimidazol-5-amine 2-methyl-1-[(6-methyl-2-pyridyl)…

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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) 1.11 6.2 -13.64 2 4 0 57 252.321 2 ↓
Mid Mid (pH 6-8) 1.11 6.64 -28.81 3 4 1 58 253.329 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(6-methyl-2-pyridyl)methyl]benzimidazol-5-amine 2-ethyl-1-[(6-methyl-2-pyridyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 6.94 -12.4 2 4 0 57 266.348 3 ↓
Mid Mid (pH 6-8) 1.69 7.61 -24.88 3 4 1 58 267.356 3 ↓

Analogs

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Popular Name: 1-[(6-methyl-2-pyridyl)methyl]-2-propyl-benzimidazol-5-amine 1-[(6-methyl-2-pyridyl)methyl]-2…

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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) 2.19 7.72 -12.16 2 4 0 57 280.375 4 ↓
Mid Mid (pH 6-8) 2.19 8.39 -24.78 3 4 1 58 281.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[(6-methyl-2-pyridyl)methyl]benzimidazol-5-amine 2-isopropyl-1-[(6-methyl-2-pyrid…

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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) 2.17 7.27 -11.76 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 2.17 8.21 -23.59 3 4 1 58 281.383 3 ↓

Analogs

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Popular Name: (2S)-2-(2-ethylbenzimidazol-1-yl)-2-(2-pyridyl)ethanamine (2S)-2-(2-ethylbenzimidazol-1-yl…

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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) 1.37 5.64 -56.21 3 4 1 58 267.356 4 ↓
Hi High (pH 8-9.5) 1.37 5.28 -10.13 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 1.37 6.05 -96.77 4 4 2 60 268.364 4 ↓

Analogs

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Popular Name: (2R)-2-(2-ethylbenzimidazol-1-yl)-2-(2-pyridyl)ethanamine (2R)-2-(2-ethylbenzimidazol-1-yl…

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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) 1.37 5.85 -53.77 3 4 1 58 267.356 4 ↓
Hi High (pH 8-9.5) 1.37 5.28 -11.36 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 1.37 6.27 -102.62 4 4 2 60 268.364 4 ↓

Analogs

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Popular Name: (1R,2R)-1-(2-ethylbenzimidazol-1-yl)-1-(2-pyridyl)propan-2-amine (1R,2R)-1-(2-ethylbenzimidazol-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) 1.77 6.32 -48.12 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.77 6.15 -9.55 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.77 6.78 -89.82 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: (1S,2R)-1-(2-ethylbenzimidazol-1-yl)-1-(2-pyridyl)propan-2-amine (1S,2R)-1-(2-ethylbenzimidazol-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) 1.77 6.61 -44.82 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.77 6.03 -9 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.77 7.21 -93.21 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: (1R,2S)-1-(2-ethylbenzimidazol-1-yl)-1-(2-pyridyl)propan-2-amine (1R,2S)-1-(2-ethylbenzimidazol-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) 1.77 6.71 -46.6 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.77 6.03 -9.19 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.77 6.97 -95.01 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: (1S,2S)-1-(2-ethylbenzimidazol-1-yl)-1-(2-pyridyl)propan-2-amine (1S,2S)-1-(2-ethylbenzimidazol-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) 1.77 6.25 -49.04 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.77 6.21 -9.75 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.77 6.81 -89.3 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: 1-[(3,6-dichloro-2-pyridyl)methyl]-2-ethyl-benzimidazole 1-[(3,6-dichloro-2-pyridyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.62 9.23 -8.76 0 3 0 31 306.196 3 ↓
Mid Mid (pH 6-8) 4.62 9.58 -23.83 1 3 1 32 307.204 3 ↓

Analogs

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Popular Name: 5-chloro-6-[(2-ethylbenzimidazol-1-yl)methyl]-N-methyl-pyridin-2-amine 5-chloro-6-[(2-ethylbenzimidazol…

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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) 3.80 8.44 -9.49 1 4 0 43 300.793 4 ↓
Mid Mid (pH 6-8) 3.80 8.82 -23.6 2 4 1 44 301.801 4 ↓

Analogs

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Popular Name: 5-chloro-6-[(2-ethylbenzimidazol-1-yl)methyl]pyridin-2-amine 5-chloro-6-[(2-ethylbenzimidazol…

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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) 3.42 7.52 -9.75 2 4 0 57 286.766 3 ↓
Mid Mid (pH 6-8) 3.42 7.91 -24.03 3 4 1 58 287.774 3 ↓

Analogs

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Popular Name: [5-chloro-6-[(2-ethylbenzimidazol-1-yl)methyl]-2-pyridyl]hydrazine [5-chloro-6-[(2-ethylbenzimidazo…

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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) 3.18 7.42 -10.19 3 5 0 69 301.781 4 ↓
Mid Mid (pH 6-8) 3.18 7.8 -23.57 4 5 1 70 302.789 4 ↓

Analogs

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Popular Name: (2S)-1-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]propan-2-ol (2S)-1-[[1-(2-pyridylmethyl)benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 7.03 -26.13 3 5 1 64 283.355 5 ↓
Mid Mid (pH 6-8) 1.83 6.6 -12.7 2 5 0 63 282.347 5 ↓

Analogs

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Popular Name: (2R)-1-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]propan-2-ol (2R)-1-[[1-(2-pyridylmethyl)benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 7.08 -26.08 3 5 1 64 283.355 5 ↓
Mid Mid (pH 6-8) 1.83 6.65 -13.26 2 5 0 63 282.347 5 ↓

Analogs

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Popular Name: 2-[1-[(6-methoxy-2-pyridyl)methyl]benzimidazol-2-yl]acetonitrile 2-[1-[(6-methoxy-2-pyridyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.39 6.77 -13.79 0 5 0 64 278.315 4 ↓
Lo Low (pH 4.5-6) 2.39 6.69 -41.5 1 5 1 65 279.323 4 ↓

Analogs

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Popular Name: 2-[1-[(6-methoxy-2-pyridyl)methyl]benzimidazol-2-yl]ethanamine 2-[1-[(6-methoxy-2-pyridyl)methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 4.42 -54.91 3 5 1 68 283.355 5 ↓
Hi High (pH 8-9.5) 1.41 4.04 -12.55 2 5 0 66 282.347 5 ↓
Lo Low (pH 4.5-6) 1.41 4.61 -113.32 4 5 2 69 284.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-(2-pyridylmethyl)benzimidazole-5-carboxylic 2-ethyl-1-(2-pyridylmethyl)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) 2.47 9.01 -58.5 0 5 -1 71 280.307 4 ↓
Mid Mid (pH 6-8) 2.47 9.79 -50.96 1 5 0 72 281.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(2-pyridylmethyl)benzimidazole-5-carboxylic 2-methyl-1-(2-pyridylmethyl)benz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 8.41 -58.69 0 5 -1 71 266.28 3 ↓
Mid Mid (pH 6-8) 1.90 8.85 -52.96 1 5 0 72 267.288 3 ↓

Parameters Provided:

ring.id = 27405
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 = 27405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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