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Analogs

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Popular Name: N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine N-[(1-methyltriazol-4-yl)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) 1.56 4.15 -42.59 2 4 1 47 195.29 3 ↓

Analogs

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Popular Name: 4-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine 4-methyl-N-[(1-methyltriazol-4-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) 1.33 4.53 -43.39 2 4 1 47 209.317 3 ↓

Analogs

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Popular Name: 4-[(1-methyltriazol-4-yl)methylamino]cyclohexanol 4-[(1-methyltriazol-4-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) -0.06 0.81 -46.43 3 5 1 68 211.289 3 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2R)-2-methyl-N-[(1-methyltri…

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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) 1.80 4.62 -41.5 2 4 1 47 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2S)-2-methyl-N-[(1-methyltri…

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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) 1.80 4.82 -41.33 2 4 1 47 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2R)-2-methyl-N-[(1-methyltri…

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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) 1.80 4.82 -41.54 2 4 1 47 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2S)-2-methyl-N-[(1-methyltri…

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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) 1.80 4.62 -42.46 2 4 1 47 209.317 3 ↓

Analogs

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Popular Name: (1S,2R,3R)-2,3-dimethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2R,3R)-2,3-dimethyl-N-[(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) 2.04 5.09 -41.99 2 4 1 47 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3S)-2,3-dimethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2R,3S)-2,3-dimethyl-N-[(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) 2.04 5.49 -40.19 2 4 1 47 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R)-2,3-dimethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2R,3R)-2,3-dimethyl-N-[(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) 2.04 5.05 -41.84 2 4 1 47 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3S)-2,3-dimethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2R,3S)-2,3-dimethyl-N-[(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) 2.04 5.28 -42.11 2 4 1 47 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,3R)-3-methyl-N-[(1-methyltri…

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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) 1.56 4.75 -42.58 2 4 1 47 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,3S)-3-methyl-N-[(1-methyltri…

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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) 1.56 4.51 -42.42 2 4 1 47 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,3R)-3-methyl-N-[(1-methyltri…

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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) 1.56 4.51 -42.91 2 4 1 47 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,3S)-3-methyl-N-[(1-methyltri…

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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) 1.56 4.74 -43.24 2 4 1 47 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dimethylpropyl)-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine 4-(1,1-dimethylpropyl)-N-[(1-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) 2.99 6.85 -42.2 2 4 1 47 265.425 5 ↓

Analogs

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Popular Name: (1S,2S)-2-tert-butyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2S)-2-tert-butyl-N-[(1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.94 -38.28 2 4 1 47 251.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-tert-butyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2R)-2-tert-butyl-N-[(1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.7 -40.03 2 4 1 47 251.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-tert-butyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2S)-2-tert-butyl-N-[(1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.7 -39.87 2 4 1 47 251.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-tert-butyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2R)-2-tert-butyl-N-[(1-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.95 -39.31 2 4 1 47 251.398 4 ↓

Analogs

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Popular Name: (1S,2R)-2-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2R)-2-ethyl-N-[(1-methyltria…

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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) 2.30 5.64 -40.32 2 4 1 47 223.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1S,2S)-2-ethyl-N-[(1-methyltria…

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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) 2.30 5.45 -41.97 2 4 1 47 223.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2R)-2-ethyl-N-[(1-methyltria…

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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) 2.30 5.45 -42.39 2 4 1 47 223.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2S)-2-ethyl-N-[(1-methyltria…

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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) 2.30 5.64 -41.86 2 4 1 47 223.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5R)-2-isopropyl-5-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2R,5R)-2-isopropyl-5-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) 3.31 6.52 -39.5 2 4 1 47 251.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5S)-2-isopropyl-5-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2R,5S)-2-isopropyl-5-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) 3.31 6.71 -41.97 2 4 1 47 251.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,5R)-2-isopropyl-5-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2S,5R)-2-isopropyl-5-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) 3.31 6.4 -42.86 2 4 1 47 251.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,5S)-2-isopropyl-5-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine (1R,2S,5S)-2-isopropyl-5-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) 3.31 6.19 -42.33 2 4 1 47 251.398 4 ↓

Analogs

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Popular Name: N-[(1-methyltriazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexanamine N-[(1-methyltriazol-4-yl)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) 1.88 5.07 -49.41 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 1.88 3.87 -10.81 1 4 0 43 262.279 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1-methyltriazol-4-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) 2.35 5.46 -40.39 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.35 4.57 -9.59 1 4 0 43 262.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1-methyltriazol-4-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) 2.35 5.24 -44.25 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.35 4.6 -12.86 1 4 0 43 262.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1R,2R)-N-[(1-methyltriazol-4-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) 2.35 5.24 -41.02 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.35 3.95 -9.52 1 4 0 43 262.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1S,2R)-N-[(1-methyltriazol-4-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) 2.35 5.46 -42.31 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.35 4.94 -12.76 1 4 0 43 262.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexanamine (1R,3S)-N-[(1-methyltriazol-4-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) 2.11 5.07 -49.19 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.11 3.87 -11.25 1 4 0 43 262.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexanamine (1S,3S)-N-[(1-methyltriazol-4-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) 2.11 5.25 -48.32 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.11 4.21 -11.44 1 4 0 43 262.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexanamine (1R,3R)-N-[(1-methyltriazol-4-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) 2.11 5.26 -48.92 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.11 4.46 -10.23 1 4 0 43 262.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexanamine (1S,3R)-N-[(1-methyltriazol-4-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) 2.11 5.06 -48.5 2 4 1 47 263.287 4 ↓
Hi High (pH 8-9.5) 2.11 3.89 -11.55 1 4 0 43 262.279 4 ↓

Analogs

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Popular Name: 4-[(1-methyltriazol-4-yl)methylamino]cyclohexanecarboxamide 4-[(1-methyltriazol-4-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) -0.32 0.81 -52.37 4 6 1 90 238.315 4 ↓
Hi High (pH 8-9.5) -0.32 -0.35 -15.73 3 6 0 86 237.307 4 ↓

Analogs

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Popular Name: (1R,3S)-N-[(1-methyltriazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexanamine (1R,3S)-N-[(1-methyltriazol-4-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) 1.71 4.58 -50.18 2 5 1 57 293.313 6 ↓
Hi High (pH 8-9.5) 1.71 3.38 -13.43 1 5 0 52 292.305 6 ↓

Analogs

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Popular Name: (1S,3S)-N-[(1-methyltriazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexanamine (1S,3S)-N-[(1-methyltriazol-4-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) 1.71 4.71 -45.68 2 5 1 57 293.313 6 ↓
Hi High (pH 8-9.5) 1.71 3.54 -13.16 1 5 0 52 292.305 6 ↓

Analogs

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Popular Name: (1R,3R)-N-[(1-methyltriazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexanamine (1R,3R)-N-[(1-methyltriazol-4-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) 1.71 4.72 -44.31 2 5 1 57 293.313 6 ↓
Hi High (pH 8-9.5) 1.71 3.53 -12.33 1 5 0 52 292.305 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[(1-methyltriazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexanamine (1S,3R)-N-[(1-methyltriazol-4-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) 1.71 4.57 -48.84 2 5 1 57 293.313 6 ↓
Hi High (pH 8-9.5) 1.71 3.4 -13.32 1 5 0 52 292.305 6 ↓

Analogs

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Popular Name: (1S,3R)-3-[(1-methyltriazol-4-yl)methylamino]cyclohexanol (1S,3R)-3-[(1-methyltriazol-4-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) 0.17 0.81 -45.25 3 5 1 68 211.289 3 ↓
Hi High (pH 8-9.5) 0.17 -0.38 -11.81 2 5 0 63 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[(1-methyltriazol-4-yl)methylamino]cyclohexanol (1S,3S)-3-[(1-methyltriazol-4-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) 0.17 0.95 -41.92 3 5 1 68 211.289 3 ↓
Hi High (pH 8-9.5) 0.17 -0.23 -11.93 2 5 0 63 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-[(1-methyltriazol-4-yl)methylamino]cyclohexanol (1R,3R)-3-[(1-methyltriazol-4-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) 0.17 0.96 -41.01 3 5 1 68 211.289 3 ↓
Hi High (pH 8-9.5) 0.17 -0.24 -10.9 2 5 0 63 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-[(1-methyltriazol-4-yl)methylamino]cyclohexanol (1R,3S)-3-[(1-methyltriazol-4-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) 0.17 0.8 -44.63 3 5 1 68 211.289 3 ↓
Hi High (pH 8-9.5) 0.17 -0.37 -12.44 2 5 0 63 210.281 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.19 5.9 -45.77 2 6 1 74 267.353 6 ↓
Hi High (pH 8-9.5) 1.19 5.09 -11.59 1 6 0 69 266.345 6 ↓

Analogs

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Popular Name: 4-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine 4-ethyl-N-[(1-methyltriazol-4-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) 2.01 5.41 -42.77 2 4 1 47 223.344 4 ↓

Analogs

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Popular Name: N-[(1-methyltriazol-4-yl)methyl]-4-propyl-cyclohexanamine N-[(1-methyltriazol-4-yl)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) 2.57 6.17 -43.51 2 4 1 47 237.371 5 ↓

Analogs

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Popular Name: 1-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexanamine 1-methyl-N-[(1-methyltriazol-4-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) 2.00 4.32 -40.19 2 4 1 47 209.317 3 ↓

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