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Analogs

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Popular Name: 1-cyclopentyl-2-ethyl-benzimidazol-5-amine 1-cyclopentyl-2-ethyl-benzimidaz…

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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) 2.61 6.53 -9.01 2 3 0 44 229.327 2 ↓
Mid Mid (pH 6-8) 2.61 6.94 -23.63 3 3 1 45 230.335 2 ↓

Analogs

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Popular Name: 1-cyclopentyl-2-propyl-benzimidazol-5-amine 1-cyclopentyl-2-propyl-benzimida…

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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) 3.11 7.3 -8.71 2 3 0 44 243.354 3 ↓
Mid Mid (pH 6-8) 3.11 7.72 -23.57 3 3 1 45 244.362 3 ↓

Analogs

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Popular Name: 1-cyclopentyl-2-isopropyl-benzimidazol-5-amine 1-cyclopentyl-2-isopropyl-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) 3.09 6.97 -8.62 2 3 0 44 243.354 2 ↓
Mid Mid (pH 6-8) 3.09 7.55 -22.14 3 3 1 45 244.362 2 ↓

Analogs

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Popular Name: 2-tert-butyl-1-cyclopentyl-benzimidazol-5-amine 2-tert-butyl-1-cyclopentyl-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) 3.76 7.27 -8.83 2 3 0 44 257.381 2 ↓
Mid Mid (pH 6-8) 3.76 7.67 -20.94 3 3 1 45 258.389 2 ↓

Analogs

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

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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 6.22 -7.5 2 3 0 44 269.27 2 ↓

Analogs

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

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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 5.28 -9.29 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.42 5.77 -24.96 3 4 1 54 232.307 2 ↓

Analogs

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

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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 5.07 -8.86 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.42 5.56 -29.77 3 4 1 54 232.307 2 ↓

Analogs

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

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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 5.11 -8.43 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.42 5.6 -29.12 3 4 1 54 232.307 2 ↓

Analogs

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

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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 5.34 -9.83 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.42 5.83 -25.41 3 4 1 54 232.307 2 ↓

Analogs

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

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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) 1.50 5.4 -10.85 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.50 5.84 -25.48 3 4 1 54 246.334 2 ↓

Analogs

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

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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) 1.50 4.44 -9.12 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.50 4.88 -25.34 3 4 1 54 246.334 2 ↓

Analogs

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

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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) 1.50 4.94 -9.47 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.50 5.38 -24.64 3 4 1 54 246.334 2 ↓

Analogs

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

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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) 1.50 5.16 -11.52 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.50 5.6 -25.17 3 4 1 54 246.334 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1R,2S)-2-methoxycyclopentyl]benzimidazol-5-amine 2-ethyl-1-[(1R,2S)-2-methoxycycl…

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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) 2.08 5.98 -10.49 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 2.08 6.44 -23.9 3 4 1 54 260.361 3 ↓

Analogs

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

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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) 2.08 5.18 -9.38 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 2.08 5.33 -24.67 3 4 1 54 260.361 3 ↓

Analogs

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

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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) 2.08 5.51 -9.18 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 2.08 5.93 -23.37 3 4 1 54 260.361 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1S,2R)-2-methoxycyclopentyl]benzimidazol-5-amine 2-ethyl-1-[(1S,2R)-2-methoxycycl…

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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) 2.08 5.76 -11.13 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 2.08 6.01 -22.66 3 4 1 54 260.361 3 ↓

Analogs

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Popular Name: 1-[(1R,2S)-2-methoxycyclopentyl]-2-propyl-benzimidazol-5-amine 1-[(1R,2S)-2-methoxycyclopentyl]…

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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) 2.58 6.8 -10.09 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.58 7.22 -23.79 3 4 1 54 274.388 4 ↓

Analogs

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Popular Name: 1-[(1S,2S)-2-methoxycyclopentyl]-2-propyl-benzimidazol-5-amine 1-[(1S,2S)-2-methoxycyclopentyl]…

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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) 2.58 5.86 -9.15 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.58 6.09 -24.45 3 4 1 54 274.388 4 ↓

Analogs

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Popular Name: 1-[(1R,2R)-2-methoxycyclopentyl]-2-propyl-benzimidazol-5-amine 1-[(1R,2R)-2-methoxycyclopentyl]…

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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) 2.58 6.28 -8.86 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.58 6.71 -23.34 3 4 1 54 274.388 4 ↓

Analogs

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Popular Name: 1-[(1S,2R)-2-methoxycyclopentyl]-2-propyl-benzimidazol-5-amine 1-[(1S,2R)-2-methoxycyclopentyl]…

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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) 2.58 6.55 -10.93 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.58 6.72 -22.46 3 4 1 54 274.388 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1R,2S)-2-methoxycyclopentyl]benzimidazol-5-amine 2-isopropyl-1-[(1R,2S)-2-methoxy…

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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 6.47 -10.07 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.56 7.05 -22.23 3 4 1 54 274.388 3 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1S,2S)-2-methoxycyclopentyl]benzimidazol-5-amine 2-isopropyl-1-[(1S,2S)-2-methoxy…

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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 5.48 -8.99 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.56 5.88 -23.07 3 4 1 54 274.388 3 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1R,2R)-2-methoxycyclopentyl]benzimidazol-5-amine 2-isopropyl-1-[(1R,2R)-2-methoxy…

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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 5.96 -8.83 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.56 6.54 -21.9 3 4 1 54 274.388 3 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(1S,2R)-2-methoxycyclopentyl]benzimidazol-5-amine 2-isopropyl-1-[(1S,2R)-2-methoxy…

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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 6.2 -10.81 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.56 6.56 -21.3 3 4 1 54 274.388 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(1R,2S)-2-methoxycyclopentyl]benzimidazol-5-amine 2-tert-butyl-1-[(1R,2S)-2-methox…

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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) 3.23 6.77 -10.23 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.23 7.13 -21.09 3 4 1 54 288.415 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]benzimidazol-5-amine 2-tert-butyl-1-[(1S,2S)-2-methox…

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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) 3.23 6.12 -8.69 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.23 6.48 -20.85 3 4 1 54 288.415 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]benzimidazol-5-amine 2-tert-butyl-1-[(1R,2R)-2-methox…

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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) 3.23 6.38 -8.88 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.23 6.77 -21.04 3 4 1 54 288.415 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(1S,2R)-2-methoxycyclopentyl]benzimidazol-5-amine 2-tert-butyl-1-[(1S,2R)-2-methox…

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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) 3.23 6.5 -10.89 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.23 6.89 -21 3 4 1 54 288.415 3 ↓

Analogs

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Popular Name: 1-[(1S,2R)-2-methoxycyclopentyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1S,2R)-2-methoxycyclopentyl]…

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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 5.66 -8.56 2 4 0 53 299.296 3 ↓

Analogs

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Popular Name: 1-[(1S,2S)-2-methoxycyclopentyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1S,2S)-2-methoxycyclopentyl]…

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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 5.22 -9.12 2 4 0 53 299.296 3 ↓

Analogs

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Popular Name: 1-[(1R,2R)-2-methoxycyclopentyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1R,2R)-2-methoxycyclopentyl]…

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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 4.54 -7.7 2 4 0 53 299.296 3 ↓

Analogs

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Popular Name: 1-[(1R,2S)-2-methoxycyclopentyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1R,2S)-2-methoxycyclopentyl]…

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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 5.45 -9.56 2 4 0 53 299.296 3 ↓

Analogs

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Popular Name: [(1R,2R)-2-(2-ethylbenzimidazol-1-yl)cyclopentyl]methanamine [(1R,2R)-2-(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) 2.23 6.53 -48.04 3 3 1 45 244.362 3 ↓
Mid Mid (pH 6-8) 2.23 6.96 -90.88 4 3 2 47 245.37 3 ↓

Analogs

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Popular Name: [(1R,2S)-2-(2-ethylbenzimidazol-1-yl)cyclopentyl]methanamine [(1R,2S)-2-(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) 2.23 6.21 -56.41 3 3 1 45 244.362 3 ↓
Mid Mid (pH 6-8) 2.23 6.45 -92.4 4 3 2 47 245.37 3 ↓

Analogs

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Popular Name: [(1S,2R)-2-(2-ethylbenzimidazol-1-yl)cyclopentyl]methanamine [(1S,2R)-2-(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) 2.23 6.58 -52.76 3 3 1 45 244.362 3 ↓
Mid Mid (pH 6-8) 2.23 6.91 -92.2 4 3 2 47 245.37 3 ↓

Analogs

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Popular Name: [(1S,2S)-2-(2-ethylbenzimidazol-1-yl)cyclopentyl]methanamine [(1S,2S)-2-(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) 2.23 6.38 -49.3 3 3 1 45 244.362 3 ↓
Mid Mid (pH 6-8) 2.23 7 -93.32 4 3 2 47 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1S,2R)-N-ethyl-2-(2-ethylbenzim…

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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 9.34 -37.48 2 3 1 34 258.389 4 ↓
Mid Mid (pH 6-8) 3.20 9.77 -86.13 3 3 2 36 259.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1S,2S)-N-ethyl-2-(2-ethylbenzim…

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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 8.17 -48.05 2 3 1 34 258.389 4 ↓
Mid Mid (pH 6-8) 3.20 8.47 -88.45 3 3 2 36 259.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1R,2R)-N-ethyl-2-(2-ethylbenzim…

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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 8.04 -48.53 2 3 1 34 258.389 4 ↓
Mid Mid (pH 6-8) 3.20 8.56 -92.27 3 3 2 36 259.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1R,2S)-N-ethyl-2-(2-ethylbenzim…

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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 8.97 -38.19 2 3 1 34 258.389 4 ↓
Mid Mid (pH 6-8) 3.20 9.32 -90 3 3 2 36 259.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cyclopentanamine (1S,2R)-2-(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) 2.82 8.51 -38.06 2 3 1 34 244.362 3 ↓
Mid Mid (pH 6-8) 2.82 8.93 -86.75 3 3 2 36 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cyclopentanamine (1S,2S)-2-(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) 2.82 7.33 -49.62 2 3 1 34 244.362 3 ↓
Mid Mid (pH 6-8) 2.82 7.63 -89.34 3 3 2 36 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cyclopentanamine (1R,2R)-2-(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) 2.82 7.2 -50.57 2 3 1 34 244.362 3 ↓
Mid Mid (pH 6-8) 2.82 7.73 -93.32 3 3 2 36 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cyclopentanamine (1R,2S)-2-(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) 2.82 8.12 -38.85 2 3 1 34 244.362 3 ↓
Mid Mid (pH 6-8) 2.82 8.49 -90.66 3 3 2 36 245.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1S,2R)-2-(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) 1.92 6.58 -42.3 3 3 1 45 230.335 2 ↓
Hi High (pH 8-9.5) 1.92 6.47 -7.21 2 3 0 44 229.327 2 ↓
Mid Mid (pH 6-8) 1.92 7.01 -92.02 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1S,2S)-2-(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) 1.92 5.52 -55.25 3 3 1 45 230.335 2 ↓
Hi High (pH 8-9.5) 1.92 5.23 -7.71 2 3 0 44 229.327 2 ↓
Mid Mid (pH 6-8) 1.92 5.81 -95.43 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1R,2R)-2-(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) 1.92 5.89 -51.76 3 3 1 45 230.335 2 ↓
Hi High (pH 8-9.5) 1.92 5.61 -8.37 2 3 0 44 229.327 2 ↓
Mid Mid (pH 6-8) 1.92 6.35 -96.49 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)cyclopentanamine (1R,2S)-2-(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) 1.92 6.26 -43.22 3 3 1 45 230.335 2 ↓
Hi High (pH 8-9.5) 1.92 6.17 -8.11 2 3 0 44 229.327 2 ↓
Mid Mid (pH 6-8) 1.92 6.62 -96.29 4 3 2 47 231.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)-N-propyl-cyclopentanamine (1R,2S)-2-(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) 3.70 10.11 -37.34 2 3 1 34 272.416 5 ↓
Mid Mid (pH 6-8) 3.70 10.55 -88.41 3 3 2 36 273.424 5 ↓

Parameters Provided:

ring.id = 27283
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 = 27283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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