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Analogs

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Popular Name: 1-(3-pyridylmethyl)benzimidazol-5-amine 1-(3-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) 0.91 5.77 -12.86 2 4 0 57 224.267 2 ↓
Mid Mid (pH 6-8) 0.91 6.26 -37.77 3 4 1 58 225.275 2 ↓

Analogs

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Popular Name: 2-methyl-1-(3-pyridylmethyl)benzimidazol-5-amine 2-methyl-1-(3-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) 1.00 5.46 -13.21 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.00 5.89 -32.29 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: 2-ethyl-1-(3-pyridylmethyl)benzimidazol-5-amine 2-ethyl-1-(3-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) 1.57 6.06 -12.75 2 4 0 57 252.321 3 ↓
Mid Mid (pH 6-8) 1.57 6.34 -30.64 3 4 1 58 253.329 3 ↓

Analogs

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Popular Name: 2-propyl-1-(3-pyridylmethyl)benzimidazol-5-amine 2-propyl-1-(3-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) 2.07 6.84 -12.41 2 4 0 57 266.348 4 ↓
Mid Mid (pH 6-8) 2.07 7.1 -30.24 3 4 1 58 267.356 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-(3-pyridylmethyl)benzimidazol-5-amine 2-isopropyl-1-(3-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) 2.05 6.57 -12.42 2 4 0 57 266.348 3 ↓
Mid Mid (pH 6-8) 2.05 6.94 -28.86 3 4 1 58 267.356 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-(3-pyridylmethyl)benzimidazol-5-amine 2-tert-butyl-1-(3-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) 2.72 6.37 -11.38 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 2.72 6.79 -26.27 3 4 1 58 281.383 3 ↓

Analogs

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Popular Name: 1-(3-pyridylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(3-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) 1.91 5.66 -10.25 2 4 0 57 292.264 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 1-[(1S)-1-(3-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) 1.27 5.65 -11.51 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.27 6.14 -30.73 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 1-[(1R)-1-(3-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) 1.27 5.65 -11.52 2 4 0 57 238.294 2 ↓
Mid Mid (pH 6-8) 1.27 6.13 -30.68 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(1S)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1S)-1-(3-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) 1.36 5.66 -13.31 2 4 0 57 252.321 2 ↓
Mid Mid (pH 6-8) 1.36 6.1 -29.34 3 4 1 58 253.329 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(1R)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1R)-1-(3-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) 1.36 5.66 -13.13 2 4 0 57 252.321 2 ↓
Mid Mid (pH 6-8) 1.36 6.1 -28.92 3 4 1 58 253.329 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1S)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-1-(3-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) 1.93 6.14 -12.99 2 4 0 57 266.348 3 ↓
Mid Mid (pH 6-8) 1.93 6.66 -27.02 3 4 1 58 267.356 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1R)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-1-(3-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) 1.93 6.24 -12.88 2 4 0 57 266.348 3 ↓
Mid Mid (pH 6-8) 1.93 7.22 -28.47 3 4 1 58 267.356 3 ↓

Analogs

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Popular Name: 2-propyl-1-[(1S)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-propyl-1-[(1S)-1-(3-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) 2.43 6.82 -13 2 4 0 57 280.375 4 ↓
Mid Mid (pH 6-8) 2.43 7.44 -26.97 3 4 1 58 281.383 4 ↓

Analogs

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Popular Name: 2-propyl-1-[(1R)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-propyl-1-[(1R)-1-(3-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) 2.43 7.48 -12.07 2 4 0 57 280.375 4 ↓
Mid Mid (pH 6-8) 2.43 7.94 -28.38 3 4 1 58 281.383 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1S)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1S)-1-(3-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) 2.42 6.64 -12.64 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 2.42 7.24 -27.16 3 4 1 58 281.383 3 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1R)-1-(3-pyridyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1R)-1-(3-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) 2.42 6.68 -12.57 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 2.42 7.15 -26.31 3 4 1 58 281.383 3 ↓

Analogs

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Popular Name: (2R)-2-(2-ethylbenzimidazol-1-yl)-2-(3-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) 1.31 5.39 -63.11 3 4 1 58 267.356 4 ↓
Hi High (pH 8-9.5) 1.31 5.02 -10.74 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 1.31 6 -103.67 4 4 2 60 268.364 4 ↓

Analogs

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Popular Name: (2S)-2-(2-ethylbenzimidazol-1-yl)-2-(3-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) 1.31 5.95 -58.77 3 4 1 58 267.356 4 ↓
Hi High (pH 8-9.5) 1.31 5.56 -9.57 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 1.31 6.25 -106 4 4 2 60 268.364 4 ↓

Analogs

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Popular Name: (1S,2R)-1-(2-ethylbenzimidazol-1-yl)-1-(3-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) 1.71 6.22 -60.06 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.71 5.92 -10.11 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.71 6.57 -102.52 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: (1R,2R)-1-(2-ethylbenzimidazol-1-yl)-1-(3-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) 1.71 6.48 -52.44 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.71 6.18 -10.32 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.71 7.08 -100.86 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: (1S,2S)-1-(2-ethylbenzimidazol-1-yl)-1-(3-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) 1.71 6.55 -51.75 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.71 6.25 -10.38 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.71 6.91 -101.95 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: (1R,2S)-1-(2-ethylbenzimidazol-1-yl)-1-(3-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) 1.71 6.09 -60.56 3 4 1 58 281.383 4 ↓
Hi High (pH 8-9.5) 1.71 5.76 -11.35 2 4 0 57 280.375 4 ↓
Lo Low (pH 4.5-6) 1.71 6.67 -101.41 4 4 2 60 282.391 4 ↓

Analogs

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Popular Name: [3-[(2-ethylbenzimidazol-1-yl)methyl]-2-pyridyl]methanamine [3-[(2-ethylbenzimidazol-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) 2.10 6.41 -59.28 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.10 6.02 -10.07 2 4 0 57 266.348 4 ↓
Mid Mid (pH 6-8) 2.10 6.84 -97.71 4 4 2 60 268.364 4 ↓

Analogs

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Popular Name: 1-[(2-chloro-3-pyridyl)methyl]-2-ethyl-benzimidazole 1-[(2-chloro-3-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) 3.48 8.05 -13.3 0 3 0 31 271.751 3 ↓
Mid Mid (pH 6-8) 3.48 8.66 -32.19 1 3 1 32 272.759 3 ↓

Analogs

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Popular Name: 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile 3-[(2-ethylbenzimidazol-1-yl)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) 2.67 8.8 -9.79 0 4 0 55 262.316 3 ↓
Mid Mid (pH 6-8) 2.67 8.55 -36.72 1 4 1 56 263.324 3 ↓

Analogs

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Popular Name: 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carbothioamide 3-[(2-ethylbenzimidazol-1-yl)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) 2.72 7.2 -11.7 2 4 0 57 296.399 4 ↓
Mid Mid (pH 6-8) 2.72 7.55 -27.68 3 4 1 58 297.407 4 ↓

Analogs

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Popular Name: 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxamidine 3-[(2-ethylbenzimidazol-1-yl)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) 1.31 6.1 -43.29 4 5 1 82 280.355 4 ↓
Mid Mid (pH 6-8) 1.31 6.56 -84.09 5 5 2 84 281.363 4 ↓

Analogs

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Popular Name: 5-[(2-ethylbenzimidazol-1-yl)methyl]pyridin-2-amine 5-[(2-ethylbenzimidazol-1-yl)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) 2.34 6.93 -12.13 2 4 0 57 252.321 3 ↓
Mid Mid (pH 6-8) 2.34 7.22 -30.49 3 4 1 58 253.329 3 ↓
Lo Low (pH 4.5-6) 2.34 7.69 -82.01 4 4 2 59 254.337 3 ↓

Analogs

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Popular Name: 5-[(2-ethylbenzimidazol-1-yl)methyl]-N-methyl-pyridin-2-amine 5-[(2-ethylbenzimidazol-1-yl)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) 2.71 7.84 -12.22 1 4 0 43 266.348 4 ↓
Mid Mid (pH 6-8) 2.71 8.31 -40.52 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 2.71 8.13 -30.51 2 4 1 44 267.356 4 ↓

Analogs

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Popular Name: N-ethyl-5-[(2-ethylbenzimidazol-1-yl)methyl]pyridin-2-amine N-ethyl-5-[(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) 3.09 8.64 -11.79 1 4 0 43 280.375 5 ↓
Mid Mid (pH 6-8) 3.09 9.11 -40.18 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 3.09 8.93 -30.23 2 4 1 44 281.383 5 ↓

Analogs

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Popular Name: N-ethyl-3-[(2-ethylbenzimidazol-1-yl)methyl]pyridin-2-amine N-ethyl-3-[(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) 3.04 9.15 -11.64 1 4 0 43 280.375 5 ↓
Mid Mid (pH 6-8) 3.04 9.39 -30.81 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 3.04 9.5 -38.98 2 4 1 44 281.383 5 ↓

Analogs

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Popular Name: 3-[(2-ethylbenzimidazol-1-yl)methyl]-N-methyl-pyridin-2-amine 3-[(2-ethylbenzimidazol-1-yl)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) 2.66 8.37 -11.98 1 4 0 43 266.348 4 ↓
Mid Mid (pH 6-8) 2.66 8.74 -39.53 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 2.66 8.64 -31 2 4 1 44 267.356 4 ↓

Analogs

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Popular Name: 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridin-2-amine 3-[(2-ethylbenzimidazol-1-yl)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) 2.29 7.15 -11.94 2 4 0 57 252.321 3 ↓
Mid Mid (pH 6-8) 2.29 7.43 -30.76 3 4 1 58 253.329 3 ↓
Lo Low (pH 4.5-6) 2.29 7.89 -81.53 4 4 2 59 254.337 3 ↓

Analogs

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Popular Name: [3-[(2-ethylbenzimidazol-1-yl)methyl]-2-pyridyl]hydrazine [3-[(2-ethylbenzimidazol-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) 2.05 6.91 -12.57 3 5 0 69 267.336 4 ↓
Mid Mid (pH 6-8) 2.05 7.16 -32.48 4 5 1 70 268.344 4 ↓
Lo Low (pH 4.5-6) 2.05 7.63 -80.14 5 5 2 71 269.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 2.10 6.83 -13.42 3 5 0 69 267.336 4 ↓
Mid Mid (pH 6-8) 2.10 7.12 -31.65 4 5 1 70 268.344 4 ↓
Lo Low (pH 4.5-6) 2.10 7.6 -81.1 5 5 2 71 269.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic 3-[(2-ethylbenzimidazol-1-yl)met…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 8.95 -48.68 0 5 -1 71 280.307 4 ↓
Mid Mid (pH 6-8) 2.49 9.38 -49.67 1 5 0 72 281.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(3-pyridylmethyl)benzimidazole-5-carboxylic 2-methyl-1-(3-pyridylmethyl)benz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.12 -61.43 0 5 -1 71 266.28 3 ↓
Mid Mid (pH 6-8) 1.83 8.56 -61.76 1 5 0 72 267.288 3 ↓

Parameters Provided:

ring.id = 28011
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 = 28011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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