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Analogs

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Popular Name: 4-[(1-ethylimidazol-2-yl)methylamino]cyclohexanecarboxylic 4-[(1-ethylimidazol-2-yl)methyla…

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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) 0.58 7.46 -69.18 2 5 0 75 251.33 5 ↓
Hi High (pH 8-9.5) 0.58 6.27 -50.27 1 5 -1 70 250.322 5 ↓

Analogs

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Popular Name: 2-[cyclohexyl-[(1-ethylimidazol-2-yl)methyl]amino]ethanol 2-[cyclohexyl-[(1-ethylimidazol-…

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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) 1.55 6.72 -97.58 3 4 2 44 253.39 6 ↓
Hi High (pH 8-9.5) 1.55 3.87 -7.46 1 4 0 41 251.374 6 ↓
Hi High (pH 8-9.5) 1.55 6.24 -24.73 2 4 1 43 252.382 6 ↓

Analogs

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Popular Name: (1R,3S)-3-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine (1R,3S)-3-methoxy-N-[(1-methylim…

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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) 0.80 5.02 -43.3 2 4 1 44 224.328 4 ↓
Hi High (pH 8-9.5) 0.80 3.84 -8.54 1 4 0 39 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine (1S,3S)-3-methoxy-N-[(1-methylim…

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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) 0.80 5.17 -40 2 4 1 44 224.328 4 ↓
Hi High (pH 8-9.5) 0.80 3.99 -8.46 1 4 0 39 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine (1R,3R)-3-methoxy-N-[(1-methylim…

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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) 0.80 5.17 -39.15 2 4 1 44 224.328 4 ↓
Hi High (pH 8-9.5) 0.80 3.98 -7.68 1 4 0 39 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine (1S,3R)-3-methoxy-N-[(1-methylim…

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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) 0.80 5.03 -42.6 2 4 1 44 224.328 4 ↓
Hi High (pH 8-9.5) 0.80 3.85 -8.94 1 4 0 39 223.32 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine N-[(1S)-1-(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) 2.12 6.13 -35.37 2 3 1 34 208.329 3 ↓
Hi High (pH 8-9.5) 2.12 5.96 -27.6 2 3 1 31 208.329 3 ↓
Hi High (pH 8-9.5) 2.12 5.44 -5.34 1 3 0 30 207.321 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine N-[(1R)-1-(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) 2.12 6.35 -34.43 2 3 1 34 208.329 3 ↓
Hi High (pH 8-9.5) 2.12 5.35 -6.44 1 3 0 30 207.321 3 ↓
Hi High (pH 8-9.5) 2.12 5.92 -26.31 2 3 1 31 208.329 3 ↓

Analogs

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Popular Name: 4-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine 4-methyl-N-[(1S)-1-(1-methylimid…

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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) 1.89 6.74 -35.95 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 1.89 5.96 -6.35 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine 4-methyl-N-[(1R)-1-(1-methylimid…

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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) 1.89 6.74 -35.08 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 1.89 5.64 -6.1 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol 4-[[(1S)-1-(1-methylimidazol-2-y…

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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) 0.50 3 -38.34 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) 0.50 2.66 -30.08 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.50 1.9 -7.73 2 4 0 50 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol 4-[[(1R)-1-(1-methylimidazol-2-y…

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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) 0.50 3.15 -35.14 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) 0.50 2.71 -27.87 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.50 2.14 -8.99 2 4 0 50 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1S,2R)-2-methyl-N-[(1S)-1-(1-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) 2.36 6.82 -34.03 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 6.68 -25.91 2 3 1 31 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 5.97 -6.05 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1S,2S)-2-methyl-N-[(1S)-1-(1-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) 2.36 7 -33.68 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 6.72 -25.68 2 3 1 31 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 6.01 -6.35 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1R,2R)-2-methyl-N-[(1S)-1-(1-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) 2.36 6.79 -34.83 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 6.88 -25.91 2 3 1 31 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 6.18 -6.44 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1R,2S)-2-methyl-N-[(1S)-1-(1-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) 2.36 6.61 -34.59 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 6.73 -25.86 2 3 1 31 222.356 3 ↓
Hi High (pH 8-9.5) 2.36 6.01 -6.02 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1S,3R)-3-methyl-N-[(1S)-1-(1-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) 2.13 6.94 -35.17 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.13 5.95 -6.32 1 3 0 30 221.348 3 ↓
Hi High (pH 8-9.5) 2.13 6.65 -25.74 2 3 1 31 222.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1S,3S)-3-methyl-N-[(1S)-1-(1-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) 2.13 6.71 -34.83 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.13 6.42 -25.83 2 3 1 31 222.356 3 ↓
Hi High (pH 8-9.5) 2.13 5.72 -6.36 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1R,3R)-3-methyl-N-[(1S)-1-(1-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) 2.13 6.5 -35.66 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.13 6.47 -25.78 2 3 1 31 222.356 3 ↓
Hi High (pH 8-9.5) 2.13 5.74 -6.42 1 3 0 30 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexanamine (1R,3S)-3-methyl-N-[(1S)-1-(1-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) 2.13 6.73 -35.86 2 3 1 34 222.356 3 ↓
Hi High (pH 8-9.5) 2.13 5.95 -6.4 1 3 0 30 221.348 3 ↓
Hi High (pH 8-9.5) 2.13 6.69 -25.7 2 3 1 31 222.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,3R)-3-[[(1S)-1-(1-methylimid…

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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) 0.74 2.78 -37.52 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) 0.74 2.1 -8.06 2 4 0 50 223.32 3 ↓
Hi High (pH 8-9.5) 0.74 2.62 -29.58 3 4 1 51 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1R)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,3R)-3-[[(1R)-1-(1-methylimid…

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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) 0.74 3.01 -37.18 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) 0.74 2.58 -28.65 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.74 2.01 -9.04 2 4 0 50 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,3S)-3-[[(1S)-1-(1-methylimid…

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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) 0.74 3.15 -34.11 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) 0.74 2.81 -28.18 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.74 2.05 -7.77 2 4 0 50 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[(1R)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,3S)-3-[[(1R)-1-(1-methylimid…

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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) 0.74 2.93 -36.72 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) 0.74 2.85 -25.95 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.74 2.12 -9.99 2 4 0 50 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclohexane-1,4-diamine N1-[(1S)-1-(1-methylimidazol-2-y…

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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) 0.01 3.24 -81.81 5 4 2 59 224.352 3 ↓
Hi High (pH 8-9.5) 0.01 2.49 -48.75 4 4 1 57 223.344 3 ↓
Mid Mid (pH 6-8) 0.01 4.28 -179.41 6 4 3 63 225.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[(1R)-1-(1-methylimidazol-2-yl)ethyl]cyclohexane-1,4-diamine N1-[(1R)-1-(1-methylimidazol-2-y…

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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) 0.01 3.72 -83.92 5 4 2 59 224.352 3 ↓
Hi High (pH 8-9.5) 0.01 3.15 -41.84 4 4 1 57 223.344 3 ↓
Mid Mid (pH 6-8) 0.01 3.8 -102.26 5 4 2 62 224.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,2R)-2-[[(1S)-1-(1-methylimid…

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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 2.81 -29.81 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.97 2.3 -7.09 2 4 0 50 223.32 3 ↓
Mid Mid (pH 6-8) 0.97 3.02 -32.27 3 4 1 55 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,2R)-2-[[(1R)-1-(1-methylimid…

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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 2.77 -27.26 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.97 2.2 -9.01 2 4 0 50 223.32 3 ↓
Mid Mid (pH 6-8) 0.97 3.26 -33.54 3 4 1 55 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,2S)-2-[[(1S)-1-(1-methylimid…

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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 2.71 -28.46 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.97 1.97 -8.63 2 4 0 50 223.32 3 ↓
Mid Mid (pH 6-8) 0.97 3.12 -33.55 3 4 1 55 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclohexanol (1S,2S)-2-[[(1R)-1-(1-methylimid…

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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 2.76 -25.5 3 4 1 51 224.328 3 ↓
Hi High (pH 8-9.5) 0.97 2.03 -10.46 2 4 0 50 223.32 3 ↓
Mid Mid (pH 6-8) 0.97 2.92 -35.81 3 4 1 55 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-N-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2S,4S)-N-[(1-ethylimidazol-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 8.39 -38.17 2 3 1 34 236.383 4 ↓
Hi High (pH 8-9.5) 2.19 7.55 -6.47 1 3 0 30 235.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-N-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2S,4S)-N-[(1-ethylimidazol-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 8.18 -38.93 2 3 1 34 236.383 4 ↓
Hi High (pH 8-9.5) 2.19 7.2 -6.33 1 3 0 30 235.375 4 ↓

Analogs

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Popular Name: (1R,2S,4R)-N-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2S,4R)-N-[(1-ethylimidazol-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 7.98 -39.96 2 3 1 34 236.383 4 ↓
Hi High (pH 8-9.5) 2.19 6.94 -6.38 1 3 0 30 235.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2S,4R)-N-[(1-ethylimidazol-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 7.96 -38.97 2 3 1 34 236.383 4 ↓
Hi High (pH 8-9.5) 2.19 6.98 -6.33 1 3 0 30 235.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2,4-dimethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexanamine (1R,2S,4S)-2,4-dimethyl-N-[(1-pr…

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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) 2.69 9.15 -38.1 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 2.69 8.31 -6.06 1 3 0 30 249.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2,4-dimethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexanamine (1S,2S,4S)-2,4-dimethyl-N-[(1-pr…

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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) 2.69 8.94 -38.94 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 2.69 7.96 -5.88 1 3 0 30 249.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2,4-dimethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexanamine (1R,2S,4R)-2,4-dimethyl-N-[(1-pr…

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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) 2.69 8.73 -39.99 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 2.69 7.7 -6.02 1 3 0 30 249.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2,4-dimethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexanamine (1S,2S,4R)-2,4-dimethyl-N-[(1-pr…

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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) 2.69 8.71 -38.93 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 2.69 7.73 -5.93 1 3 0 30 249.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-[[1-(difluoromethyl…

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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) 2.37 7.4 -35.22 2 3 1 34 258.336 4 ↓
Hi High (pH 8-9.5) 2.37 6.73 -5.33 1 3 0 30 257.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[[1-(difluoromethyl…

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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) 2.37 7.18 -36.41 2 3 1 34 258.336 4 ↓
Hi High (pH 8-9.5) 2.37 6.18 -5.39 1 3 0 30 257.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-[[1-(difluoromethyl…

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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) 2.37 7.38 -35.86 2 3 1 34 258.336 4 ↓
Hi High (pH 8-9.5) 2.37 6.45 -5.33 1 3 0 30 257.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-[[1-(difluoromethyl…

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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) 2.37 7.15 -35.92 2 3 1 34 258.336 4 ↓
Hi High (pH 8-9.5) 2.37 6.23 -5.39 1 3 0 30 257.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-[(5-chloro-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 7.8 -39.31 2 3 1 34 256.801 3 ↓
Hi High (pH 8-9.5) 2.61 7.05 -3.56 1 3 0 30 255.793 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-[(5-chloro-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 7.46 -41.97 2 3 1 34 256.801 3 ↓
Hi High (pH 8-9.5) 2.61 6.44 -3.6 1 3 0 30 255.793 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-[(5-chloro-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 7.67 -41.76 2 3 1 34 256.801 3 ↓
Hi High (pH 8-9.5) 2.61 6.7 -3.69 1 3 0 30 255.793 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-[(5-chloro-1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 7.43 -41.88 2 3 1 34 256.801 3 ↓
Hi High (pH 8-9.5) 2.61 6.47 -3.6 1 3 0 30 255.793 3 ↓

Analogs

42580402
42580402

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Popular Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-propyl-cyclohexanamine N-[[1-(difluoromethyl)imidazol-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) 3.14 8.31 -36.5 2 3 1 34 272.363 6 ↓
Hi High (pH 8-9.5) 3.14 7.31 -5.65 1 3 0 30 271.355 6 ↓

Analogs

42580405
42580405

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Popular Name: N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4-propyl-cyclohexanamine N-[(5-chloro-1-methyl-imidazol-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) 3.38 8.61 -42.72 2 3 1 34 270.828 5 ↓
Hi High (pH 8-9.5) 3.38 7.55 -3.89 1 3 0 30 269.82 5 ↓

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