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Analogs

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Popular Name: (1S,2S)-2-(1-propylimidazol-2-yl)cycloheptanol (1S,2S)-2-(1-propylimidazol-2-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) 2.22 5.86 -25.22 2 3 1 39 223.34 3 ↓
Mid Mid (pH 6-8) 2.22 5.75 -8.21 1 3 0 38 222.332 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-propylimidazol-2-yl)cycloheptanol (1S,2R)-2-(1-propylimidazol-2-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) 2.22 6.22 -25.1 2 3 1 39 223.34 3 ↓
Mid Mid (pH 6-8) 2.22 5.24 -7.38 1 3 0 38 222.332 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-propylimidazol-2-yl)cycloheptanol (1R,2S)-2-(1-propylimidazol-2-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) 2.22 6.11 -24.88 2 3 1 39 223.34 3 ↓
Mid Mid (pH 6-8) 2.22 5.24 -7.37 1 3 0 38 222.332 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-propylimidazol-2-yl)cycloheptanol (1R,2R)-2-(1-propylimidazol-2-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) 2.22 5.74 -25.24 2 3 1 39 223.34 3 ↓
Mid Mid (pH 6-8) 2.22 5.73 -8.2 1 3 0 38 222.332 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-ethylimidazol-2-yl)cycloheptanol (1S,2S)-2-(1-ethylimidazol-2-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) 1.72 5.12 -25.18 2 3 1 39 209.313 2 ↓
Mid Mid (pH 6-8) 1.72 4.99 -8.63 1 3 0 38 208.305 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-ethylimidazol-2-yl)cycloheptanol (1S,2R)-2-(1-ethylimidazol-2-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) 1.72 5.47 -25.05 2 3 1 39 209.313 2 ↓
Mid Mid (pH 6-8) 1.72 4.48 -7.73 1 3 0 38 208.305 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-ethylimidazol-2-yl)cycloheptanol (1R,2S)-2-(1-ethylimidazol-2-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) 1.72 5.35 -24.83 2 3 1 39 209.313 2 ↓
Mid Mid (pH 6-8) 1.72 4.48 -7.77 1 3 0 38 208.305 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-ethylimidazol-2-yl)cycloheptanol (1R,2R)-2-(1-ethylimidazol-2-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) 1.72 5 -25.21 2 3 1 39 209.313 2 ↓
Mid Mid (pH 6-8) 1.72 4.97 -8.62 1 3 0 38 208.305 2 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-chlorocycloheptyl]-1-ethyl-imidazole 2-[(1S,2S)-2-chlorocycloheptyl]-…

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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) 2.96 8.82 -26.23 1 2 1 19 227.759 2 ↓
Mid Mid (pH 6-8) 2.96 8.68 -7.27 0 2 0 18 226.751 2 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-chlorocycloheptyl]-1-ethyl-imidazole 2-[(1R,2S)-2-chlorocycloheptyl]-…

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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) 2.96 8.92 -25.49 1 2 1 19 227.759 2 ↓
Mid Mid (pH 6-8) 2.96 7.99 -6.55 0 2 0 18 226.751 2 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-chlorocycloheptyl]-1-ethyl-imidazole 2-[(1S,2R)-2-chlorocycloheptyl]-…

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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) 2.96 8.8 -25.32 1 2 1 19 227.759 2 ↓
Mid Mid (pH 6-8) 2.96 8 -6.46 0 2 0 18 226.751 2 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-chlorocycloheptyl]-1-ethyl-imidazole 2-[(1R,2R)-2-chlorocycloheptyl]-…

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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) 2.96 8.72 -26.32 1 2 1 19 227.759 2 ↓
Mid Mid (pH 6-8) 2.96 8.68 -7.32 0 2 0 18 226.751 2 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-chlorocycloheptyl]-1-propyl-imidazole 2-[(1S,2S)-2-chlorocycloheptyl]-…

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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) 3.46 9.55 -26.19 1 2 1 19 241.786 3 ↓
Mid Mid (pH 6-8) 3.46 9.44 -6.89 0 2 0 18 240.778 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-chlorocycloheptyl]-1-propyl-imidazole 2-[(1R,2S)-2-chlorocycloheptyl]-…

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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) 3.46 9.67 -25.55 1 2 1 19 241.786 3 ↓
Mid Mid (pH 6-8) 3.46 8.75 -6.14 0 2 0 18 240.778 3 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-chlorocycloheptyl]-1-propyl-imidazole 2-[(1S,2R)-2-chlorocycloheptyl]-…

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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) 3.46 9.56 -25.36 1 2 1 19 241.786 3 ↓
Mid Mid (pH 6-8) 3.46 8.75 -6.07 0 2 0 18 240.778 3 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-chlorocycloheptyl]-1-propyl-imidazole 2-[(1R,2R)-2-chlorocycloheptyl]-…

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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) 3.46 9.48 -26.32 1 2 1 19 241.786 3 ↓
Mid Mid (pH 6-8) 3.46 9.44 -6.87 0 2 0 18 240.778 3 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-bromocycloheptyl]-1-ethyl-imidazole 2-[(1S,2S)-2-bromocycloheptyl]-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) 3.09 8.81 -26.91 1 2 1 19 272.21 2 ↓
Mid Mid (pH 6-8) 3.09 8.65 -6.68 0 2 0 18 271.202 2 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-bromocycloheptyl]-1-ethyl-imidazole 2-[(1R,2S)-2-bromocycloheptyl]-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) 3.09 9.08 -25.34 1 2 1 19 272.21 2 ↓
Mid Mid (pH 6-8) 3.09 8.05 -6.04 0 2 0 18 271.202 2 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-bromocycloheptyl]-1-ethyl-imidazole 2-[(1S,2R)-2-bromocycloheptyl]-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) 3.09 8.98 -25.14 1 2 1 19 272.21 2 ↓
Mid Mid (pH 6-8) 3.09 8.07 -5.95 0 2 0 18 271.202 2 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-bromocycloheptyl]-1-ethyl-imidazole 2-[(1R,2R)-2-bromocycloheptyl]-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) 3.09 8.84 -26.25 1 2 1 19 272.21 2 ↓
Mid Mid (pH 6-8) 3.09 8.87 -6.61 0 2 0 18 271.202 2 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-bromocycloheptyl]-1-propyl-imidazole 2-[(1S,2S)-2-bromocycloheptyl]-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) 3.59 9.55 -26.99 1 2 1 19 286.237 3 ↓
Mid Mid (pH 6-8) 3.59 9.41 -6.26 0 2 0 18 285.229 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-bromocycloheptyl]-1-propyl-imidazole 2-[(1R,2S)-2-bromocycloheptyl]-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) 3.59 9.83 -25.41 1 2 1 19 286.237 3 ↓
Mid Mid (pH 6-8) 3.59 8.81 -5.73 0 2 0 18 285.229 3 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-bromocycloheptyl]-1-propyl-imidazole 2-[(1S,2R)-2-bromocycloheptyl]-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) 3.59 9.73 -25.21 1 2 1 19 286.237 3 ↓
Mid Mid (pH 6-8) 3.59 8.82 -5.61 0 2 0 18 285.229 3 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-bromocycloheptyl]-1-propyl-imidazole 2-[(1R,2R)-2-bromocycloheptyl]-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) 3.59 9.59 -26.24 1 2 1 19 286.237 3 ↓
Mid Mid (pH 6-8) 3.59 9.63 -6.19 0 2 0 18 285.229 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-propylimidazol-2-yl)cycloheptanamine (1S,2R)-2-(1-propylimidazol-2-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) 1.73 6.5 -104.23 4 3 2 47 223.364 3 ↓
Mid Mid (pH 6-8) 1.73 6.57 -33.49 3 3 1 45 222.356 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-propylimidazol-2-yl)cycloheptanamine (1S,2S)-2-(1-propylimidazol-2-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) 1.73 6.81 -103.2 4 3 2 47 223.364 3 ↓
Mid Mid (pH 6-8) 1.73 6.02 -34.92 3 3 1 45 222.356 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-propylimidazol-2-yl)cycloheptanamine (1R,2R)-2-(1-propylimidazol-2-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) 1.73 6.24 -102.32 4 3 2 47 223.364 3 ↓
Mid Mid (pH 6-8) 1.73 5.99 -36.2 3 3 1 45 222.356 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-propylimidazol-2-yl)cycloheptanamine (1R,2S)-2-(1-propylimidazol-2-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) 1.73 6.39 -103.4 4 3 2 47 223.364 3 ↓
Mid Mid (pH 6-8) 1.73 6.55 -33.14 3 3 1 45 222.356 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-ethylimidazol-2-yl)cycloheptanamine (1S,2R)-2-(1-ethylimidazol-2-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) 1.23 5.74 -103.21 4 3 2 47 209.337 2 ↓
Mid Mid (pH 6-8) 1.23 5.81 -33.48 3 3 1 45 208.329 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-ethylimidazol-2-yl)cycloheptanamine (1S,2S)-2-(1-ethylimidazol-2-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) 1.23 6.06 -101.77 4 3 2 47 209.337 2 ↓
Mid Mid (pH 6-8) 1.23 5.26 -34.89 3 3 1 45 208.329 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-ethylimidazol-2-yl)cycloheptanamine (1R,2R)-2-(1-ethylimidazol-2-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) 1.23 5.49 -101.29 4 3 2 47 209.337 2 ↓
Mid Mid (pH 6-8) 1.23 5.23 -36.22 3 3 1 45 208.329 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-ethylimidazol-2-yl)cycloheptanamine (1R,2S)-2-(1-ethylimidazol-2-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) 1.23 5.63 -102.09 4 3 2 47 209.337 2 ↓
Mid Mid (pH 6-8) 1.23 5.8 -33.15 3 3 1 45 208.329 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-ethylimidazol-2-yl)-N-methyl-cycloheptanamine (1S,2R)-2-(1-ethylimidazol-2-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) 2.13 7.5 -96.72 3 3 2 36 223.364 3 ↓
Mid Mid (pH 6-8) 2.13 7.63 -29.47 2 3 1 34 222.356 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-ethylimidazol-2-yl)-N-methyl-cycloheptanamine (1S,2S)-2-(1-ethylimidazol-2-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) 2.13 7.93 -94.9 3 3 2 36 223.364 3 ↓
Mid Mid (pH 6-8) 2.13 7.1 -31.07 2 3 1 34 222.356 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-ethylimidazol-2-yl)-N-methyl-cycloheptanamine (1R,2R)-2-(1-ethylimidazol-2-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) 2.13 7.19 -95.31 3 3 2 36 223.364 3 ↓
Mid Mid (pH 6-8) 2.13 7.07 -32.27 2 3 1 34 222.356 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-ethylimidazol-2-yl)-N-methyl-cycloheptanamine (1R,2S)-2-(1-ethylimidazol-2-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) 2.13 7.42 -95.66 3 3 2 36 223.364 3 ↓
Mid Mid (pH 6-8) 2.13 7.6 -29.15 2 3 1 34 222.356 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-methylimidazol-2-yl)-N-propyl-cycloheptanamine (1R,2S)-2-(1-methylimidazol-2-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) 2.64 8.19 -97.3 3 3 2 36 237.391 4 ↓
Hi High (pH 8-9.5) 2.64 8.11 -29.9 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1-methylimidazol-2-yl)-N-propyl-cycloheptanamine (1S,2S)-2-(1-methylimidazol-2-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) 2.64 7.85 -96.11 3 3 2 36 237.391 4 ↓
Hi High (pH 8-9.5) 2.64 7.77 -31.1 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(1-methylimidazol-2-yl)-N-propyl-cycloheptanamine (1R,2R)-2-(1-methylimidazol-2-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) 2.64 7.87 -96.17 3 3 2 36 237.391 4 ↓
Hi High (pH 8-9.5) 2.64 7.78 -31.27 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1-methylimidazol-2-yl)-N-propyl-cycloheptanamine (1S,2R)-2-(1-methylimidazol-2-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) 2.64 8.22 -97.53 3 3 2 36 237.391 4 ↓
Hi High (pH 8-9.5) 2.64 8.12 -30.16 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1S,2R)-N-methyl-2-(1-propylimid…

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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) 2.64 8.25 -97.67 3 3 2 36 237.391 4 ↓
Mid Mid (pH 6-8) 2.64 8.38 -29.41 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1S,2S)-N-methyl-2-(1-propylimid…

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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 8.68 -96.17 3 3 2 36 237.391 4 ↓
Mid Mid (pH 6-8) 2.64 7.85 -30.96 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1R,2R)-N-methyl-2-(1-propylimid…

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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 7.96 -96.28 3 3 2 36 237.391 4 ↓
Mid Mid (pH 6-8) 2.64 7.83 -32.19 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1R,2S)-N-methyl-2-(1-propylimid…

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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 8.17 -96.79 3 3 2 36 237.391 4 ↓
Mid Mid (pH 6-8) 2.64 8.36 -29.16 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1S,2R)-N-ethyl-2-(1-propylimida…

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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 9.07 -96.82 3 3 2 36 251.418 5 ↓
Mid Mid (pH 6-8) 3.01 9.23 -28.65 2 3 1 34 250.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1S,2S)-N-ethyl-2-(1-propylimida…

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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) 3.01 9.51 -95.11 3 3 2 36 251.418 5 ↓
Mid Mid (pH 6-8) 3.01 8.69 -29.87 2 3 1 34 250.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1R,2R)-N-ethyl-2-(1-propylimida…

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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 8.78 -95.29 3 3 2 36 251.418 5 ↓
Mid Mid (pH 6-8) 3.01 8.67 -31.08 2 3 1 34 250.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(1-propylimidazol-2-yl)cycloheptanamine (1R,2S)-N-ethyl-2-(1-propylimida…

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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) 3.01 9.01 -95.87 3 3 2 36 251.418 5 ↓
Mid Mid (pH 6-8) 3.01 9.21 -28.32 2 3 1 34 250.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(1-ethylimidazol-2-yl)cycloheptanamine (1R,2S)-N-ethyl-2-(1-ethylimidaz…

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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) 2.51 8.26 -94.79 3 3 2 36 237.391 4 ↓
Mid Mid (pH 6-8) 2.51 8.23 -29.17 2 3 1 34 236.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(1-ethylimidazol-2-yl)cycloheptanamine (1S,2S)-N-ethyl-2-(1-ethylimidaz…

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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) 2.51 7.9 -94.3 3 3 2 36 237.391 4 ↓
Mid Mid (pH 6-8) 2.51 7.94 -29.87 2 3 1 34 236.383 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 264255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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