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Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(2-pyrazol-1-ylethyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(2-pyrazol-…

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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) 0.62 3.8 -10.82 0 6 0 66 259.191 5 ↓

Analogs

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Popular Name: 1-[1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(4-bromo-3,5-dimethyl-py…

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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) 0.90 4.37 -48.72 2 6 1 65 314.211 5 ↓
Hi High (pH 8-9.5) 0.90 2.92 -12.94 1 6 0 61 313.203 5 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(4-bromo-3,5-dimethyl-p…

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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) 1.28 5.23 -44.09 2 6 1 65 328.238 6 ↓
Hi High (pH 8-9.5) 1.28 3.85 -8.31 1 6 0 61 327.23 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-(4-bromo-3,5-dimethyl-p…

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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) 1.78 5.98 -45 2 6 1 65 342.265 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(4-bromo-3,5-dimethyl-p…

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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) 1.58 5.74 -46.11 2 6 1 65 342.265 6 ↓
Hi High (pH 8-9.5) 1.58 4.53 -12.72 1 6 0 61 341.257 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(4-bromo-3,5-dimethyl-p…

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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) 2.09 6.18 -44.78 2 6 1 65 356.292 6 ↓
Hi High (pH 8-9.5) 2.09 4.94 -12.38 1 6 0 61 355.284 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(4-bromo-3,5-dimethyl-p…

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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) 2.03 6.68 -49.26 2 6 1 65 356.292 7 ↓

Analogs

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Popular Name: [1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(4-bromo-3,5-dimethyl-pyra…

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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) 0.53 2.5 -53.87 3 6 1 76 300.184 4 ↓
Hi High (pH 8-9.5) 0.53 2.1 -11.57 2 6 0 75 299.176 4 ↓

Analogs

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Popular Name: 1-[1-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(4-chloro-3,5-dimethyl-p…

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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) 0.77 4.28 -48.7 2 6 1 65 269.76 5 ↓
Hi High (pH 8-9.5) 0.77 2.83 -12.94 1 6 0 61 268.752 5 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(4-chloro-3,5-dimethyl-…

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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) 1.15 5.14 -44.16 2 6 1 65 283.787 6 ↓
Hi High (pH 8-9.5) 1.15 3.76 -8.36 1 6 0 61 282.779 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-(4-chloro-3,5-dimethyl-…

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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) 1.65 5.9 -45.01 2 6 1 65 297.814 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(4-chloro-3,5-dimethyl-…

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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) 1.45 5.67 -46.12 2 6 1 65 297.814 6 ↓
Hi High (pH 8-9.5) 1.45 4.45 -12.73 1 6 0 61 296.806 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(4-chloro-3,5-dimethyl-…

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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) 1.96 6.08 -44.79 2 6 1 65 311.841 6 ↓
Hi High (pH 8-9.5) 1.96 4.85 -12.39 1 6 0 61 310.833 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(4-chloro-3,5-dimethyl-…

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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) 1.90 6.59 -49.22 2 6 1 65 311.841 7 ↓

Analogs

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Popular Name: [1-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(4-chloro-3,5-dimethyl-pyr…

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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) 0.40 2.41 -53.92 3 6 1 76 255.733 4 ↓
Hi High (pH 8-9.5) 0.40 2.01 -11.53 2 6 0 75 254.725 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-(2-pyrazol-1-ylethyl)triazol-4-yl]methanamine N-methyl-1-[1-(2-pyrazol-1-yleth…

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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) -0.28 2.72 -46.27 2 6 1 65 207.261 5 ↓
Hi High (pH 8-9.5) -0.28 1.27 -10.47 1 6 0 61 206.253 5 ↓

Analogs

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Popular Name: N-[[1-(2-pyrazol-1-ylethyl)triazol-4-yl]methyl]ethanamine N-[[1-(2-pyrazol-1-ylethyl)triaz…

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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) 0.10 3.58 -45.57 2 6 1 65 221.288 6 ↓
Hi High (pH 8-9.5) 0.10 2.21 -10.27 1 6 0 61 220.28 6 ↓

Analogs

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Popular Name: 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(3,5-dimethylpyrazol-1-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) 0.17 3.79 -48.83 2 6 1 65 235.315 5 ↓
Hi High (pH 8-9.5) 0.17 2.34 -13.69 1 6 0 61 234.307 5 ↓
Lo Low (pH 4.5-6) 0.17 3.93 -85.14 3 6 2 66 236.323 5 ↓

Analogs

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Popular Name: N-[[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(3,5-dimethylpyrazol-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) 0.54 4.65 -43.95 2 6 1 65 249.342 6 ↓
Hi High (pH 8-9.5) 0.54 3.27 -8.92 1 6 0 61 248.334 6 ↓
Lo Low (pH 4.5-6) 0.54 4.79 -84.87 3 6 2 66 250.35 6 ↓

Analogs

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Popular Name: N-[[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-(3,5-dimethylpyrazol-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) 1.05 5.4 -44.77 2 6 1 65 263.369 7 ↓
Lo Low (pH 4.5-6) 1.05 5.54 -86.09 3 6 2 66 264.377 7 ↓

Analogs

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Popular Name: N-[[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(3,5-dimethylpyrazol-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) 0.84 5.17 -47.02 2 6 1 65 263.369 6 ↓
Hi High (pH 8-9.5) 0.84 3.96 -13.51 1 6 0 61 262.361 6 ↓
Lo Low (pH 4.5-6) 0.84 5.31 -84.22 3 6 2 66 264.377 6 ↓

Analogs

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Popular Name: N-[[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(3,5-dimethylpyrazol-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) 1.35 5.58 -44.81 2 6 1 65 277.396 6 ↓
Hi High (pH 8-9.5) 1.35 4.36 -13.13 1 6 0 61 276.388 6 ↓
Lo Low (pH 4.5-6) 1.35 5.73 -82.39 3 6 2 66 278.404 6 ↓

Analogs

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Popular Name: N-[[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(3,5-dimethylpyrazol-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) 1.29 6.1 -49.24 2 6 1 65 277.396 7 ↓
Lo Low (pH 4.5-6) 1.29 6.24 -86.26 3 6 2 66 278.404 7 ↓

Analogs

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Popular Name: [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(3,5-dimethylpyrazol-1-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.21 1.92 -54.01 3 6 1 76 221.288 4 ↓
Hi High (pH 8-9.5) -0.21 1.52 -12.35 2 6 0 75 220.28 4 ↓
Lo Low (pH 4.5-6) -0.21 2.06 -89.91 4 6 2 77 222.296 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-(4-methylpyrazo…

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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) 0.10 3.4 -46.02 2 6 1 65 221.288 5 ↓
Hi High (pH 8-9.5) 0.10 1.94 -11.76 1 6 0 61 220.28 5 ↓

Analogs

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Popular Name: N-[[1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(4-methylpyrazol-1-yl)e…

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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) 0.48 4.26 -45.29 2 6 1 65 235.315 6 ↓
Hi High (pH 8-9.5) 0.48 2.88 -9.99 1 6 0 61 234.307 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-(4-methylpyrazol-1-yl)e…

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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) 0.98 5.01 -46.15 2 6 1 65 249.342 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(4-methylpyrazol-1-yl)e…

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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) 0.78 4.78 -44.14 2 6 1 65 249.342 6 ↓
Hi High (pH 8-9.5) 0.78 3.56 -11.53 1 6 0 61 248.334 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-(4-methylpyraz…

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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) 1.29 5.2 -42 2 6 1 65 263.369 6 ↓
Hi High (pH 8-9.5) 1.29 3.97 -11.25 1 6 0 61 262.361 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-(4-methylpyraz…

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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) 1.22 5.7 -46.02 2 6 1 65 263.369 7 ↓

Analogs

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Popular Name: [1-[2-(4-methylpyrazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(4-methylpyrazol-1-yl)ethy…

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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) -0.27 1.52 -51.19 3 6 1 76 207.261 4 ↓
Hi High (pH 8-9.5) -0.27 1.12 -12.27 2 6 0 75 206.253 4 ↓

Analogs

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Popular Name: 1-[1-[2-(4-chloropyrazol-1-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(4-chloropyrazol-1-yl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.33 3.23 -46.34 2 6 1 65 241.706 5 ↓
Hi High (pH 8-9.5) 0.33 1.78 -9.83 1 6 0 61 240.698 5 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(4-chloropyrazol-1-yl)e…

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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) 0.71 4.09 -45.71 2 6 1 65 255.733 6 ↓
Hi High (pH 8-9.5) 0.71 2.71 -9.67 1 6 0 61 254.725 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-(4-chloropyrazol-1-yl)e…

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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) 1.21 4.84 -46.52 2 6 1 65 269.76 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(4-chloropyrazol-1-yl)e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 4.61 -44.55 2 6 1 65 269.76 6 ↓
Hi High (pH 8-9.5) 1.00 3.41 -9.52 1 6 0 61 268.752 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(4-chloropyrazol-1-yl)e…

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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) 1.52 5.04 -42.39 2 6 1 65 283.787 6 ↓
Hi High (pH 8-9.5) 1.52 3.8 -9.31 1 6 0 61 282.779 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(4-chloropyrazol-1-yl)e…

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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) 1.45 5.53 -46.81 2 6 1 65 283.787 7 ↓

Analogs

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Popular Name: [1-[2-(4-chloropyrazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(4-chloropyrazol-1-yl)ethy…

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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) -0.04 1.36 -51.53 3 6 1 76 227.679 4 ↓
Hi High (pH 8-9.5) -0.04 0.95 -11.95 2 6 0 75 226.671 4 ↓

Analogs

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Popular Name: 1-[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(4-bromopyrazol-1-yl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.46 3.33 -46.3 2 6 1 65 286.157 5 ↓
Hi High (pH 8-9.5) 0.46 1.88 -9.8 1 6 0 61 285.149 5 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(4-bromopyrazol-1-yl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 4.19 -45.66 2 6 1 65 300.184 6 ↓
Hi High (pH 8-9.5) 0.84 2.81 -9.61 1 6 0 61 299.176 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-(4-bromopyrazol-1-yl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 4.94 -46.44 2 6 1 65 314.211 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(4-bromopyrazol-1-yl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 4.71 -44.52 2 6 1 65 314.211 6 ↓
Hi High (pH 8-9.5) 1.14 3.52 -9.44 1 6 0 61 313.203 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(4-bromopyrazol-1-yl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 5.14 -42.35 2 6 1 65 328.238 6 ↓
Hi High (pH 8-9.5) 1.65 3.9 -9.25 1 6 0 61 327.23 6 ↓

Analogs

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Popular Name: N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[2-(4-bromopyrazol-1-yl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.58 5.64 -46.74 2 6 1 65 328.238 7 ↓

Analogs

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Popular Name: [1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(4-bromopyrazol-1-yl)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) 0.09 1.46 -51.47 3 6 1 76 272.13 4 ↓
Hi High (pH 8-9.5) 0.09 1.06 -11.8 2 6 0 75 271.122 4 ↓

Analogs

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Popular Name: 2-[1-(2-pyrazol-1-ylethyl)triazol-4-yl]propan-2-amine 2-[1-(2-pyrazol-1-ylethyl)triazo…

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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) 0.36 2.04 -55.36 3 6 1 76 221.288 4 ↓
Hi High (pH 8-9.5) 0.36 1.78 -10.01 2 6 0 75 220.28 4 ↓

Analogs

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Popular Name: 1-[2-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]triazole-4-carboxylic 1-[2-[3-(dimethylcarbamoyl)pyraz…

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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 3.78 -53.87 0 9 -1 109 277.264 5 ↓

Analogs

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Popular Name: 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methyl-pyrazole-3-carboxamide 1-[2-[4-(hydrazinecarbonyl)triaz…

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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) -2.02 -2.17 -17.46 4 10 0 133 278.276 5 ↓

Analogs

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Popular Name: 1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[2-[4-(hydrazinecarbonyl)triaz…

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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) -1.77 0.04 -17.85 3 10 0 124 292.303 5 ↓

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