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Analogs

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Popular Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(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) 3.86 8.92 -41.23 2 3 1 34 365.32 4 ↓
Hi High (pH 8-9.5) 3.86 7.46 -7.51 1 3 0 30 364.312 4 ↓

Analogs

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Popular Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(4-bromo-3,5-dimethyl-pyrazo…

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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) 3.60 7.02 -46.49 3 3 1 45 369.283 3 ↓
Hi High (pH 8-9.5) 3.60 6.65 -6.42 2 3 0 44 368.275 3 ↓

Analogs

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Popular Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-bromo-3,5-dimethyl-pyrazo…

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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) 3.48 7.05 -46.98 3 3 1 45 351.293 3 ↓
Hi High (pH 8-9.5) 3.48 6.64 -7.19 2 3 0 44 350.285 3 ↓

Analogs

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Popular Name: 1-[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(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) 3.72 8.85 -41.37 2 3 1 34 320.869 4 ↓
Hi High (pH 8-9.5) 3.72 7.39 -7.54 1 3 0 30 319.861 4 ↓

Analogs

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Popular Name: [3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(4-chloro-3,5-dimethyl-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) 3.46 6.95 -46.67 3 3 1 45 324.832 3 ↓
Hi High (pH 8-9.5) 3.46 6.58 -6.45 2 3 0 44 323.824 3 ↓

Analogs

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Popular Name: [3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-chloro-3,5-dimethyl-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) 3.35 6.97 -47.15 3 3 1 45 306.842 3 ↓
Hi High (pH 8-9.5) 3.35 6.56 -7.15 2 3 0 44 305.834 3 ↓

Analogs

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Popular Name: N-methyl-1-[3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methanamine N-methyl-1-[3-(pyrazol-1-ylmethy…

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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) 2.67 7.44 -41.46 2 3 1 34 258.37 4 ↓
Hi High (pH 8-9.5) 2.67 6 -7.34 1 3 0 30 257.362 4 ↓

Analogs

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Popular Name: N-[[3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]ethanamine N-[[3-(pyrazol-1-ylmethyl)benzot…

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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) 3.05 8.32 -39.86 2 3 1 34 272.397 5 ↓
Hi High (pH 8-9.5) 3.05 6.94 -7.04 1 3 0 30 271.389 5 ↓

Analogs

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Popular Name: N-[[3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine N-[[3-(pyrazol-1-ylmethyl)benzot…

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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) 3.55 9.06 -40.64 2 3 1 34 286.424 6 ↓
Hi High (pH 8-9.5) 3.55 7.7 -6.92 1 3 0 30 285.416 6 ↓

Analogs

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Popular Name: N-[[3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine N-[[3-(pyrazol-1-ylmethyl)benzot…

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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) 3.35 8.84 -38.29 2 3 1 34 286.424 5 ↓
Hi High (pH 8-9.5) 3.35 7.62 -6.85 1 3 0 30 285.416 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine 2-methyl-N-[[3-(pyrazol-1-ylmeth…

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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) 3.86 9.28 -36.41 2 3 1 34 300.451 5 ↓
Hi High (pH 8-9.5) 3.86 8.02 -6.83 1 3 0 30 299.443 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine 2-methyl-N-[[3-(pyrazol-1-ylmeth…

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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) 3.80 9.75 -40.26 2 3 1 34 300.451 6 ↓
Hi High (pH 8-9.5) 3.80 8.38 -6.81 1 3 0 30 299.443 6 ↓

Analogs

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Popular Name: [4-fluoro-3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methanamine [4-fluoro-3-(pyrazol-1-ylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 5.49 -53.1 3 3 1 45 262.333 3 ↓
Hi High (pH 8-9.5) 2.42 5.09 -9.7 2 3 0 44 261.325 3 ↓

Analogs

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Popular Name: [3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methanamine [3-(pyrazol-1-ylmethyl)benzothio…

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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 5.5 -51.49 3 3 1 45 244.343 3 ↓
Hi High (pH 8-9.5) 2.30 5.12 -8.23 2 3 0 44 243.335 3 ↓

Analogs

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Popular Name: 1-[4-fluoro-3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]-N-methyl-methanamine 1-[4-fluoro-3-(pyrazol-1-ylmethy…

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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) 2.79 7.43 -41.1 2 3 1 34 276.36 4 ↓
Hi High (pH 8-9.5) 2.79 5.98 -6.68 1 3 0 30 275.352 4 ↓

Analogs

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Popular Name: N-[[4-fluoro-3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]ethanamine N-[[4-fluoro-3-(pyrazol-1-ylmeth…

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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) 3.17 8.3 -39.6 2 3 1 34 290.387 5 ↓
Hi High (pH 8-9.5) 3.17 6.92 -6.46 1 3 0 30 289.379 5 ↓

Analogs

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Popular Name: N-[[4-fluoro-3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-1-amine N-[[4-fluoro-3-(pyrazol-1-ylmeth…

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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) 3.67 9.06 -40.33 2 3 1 34 304.414 6 ↓
Hi High (pH 8-9.5) 3.67 7.68 -6.38 1 3 0 30 303.406 6 ↓

Analogs

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Popular Name: N-[[4-fluoro-3-(pyrazol-1-ylmethyl)benzothiophen-2-yl]methyl]propan-2-amine N-[[4-fluoro-3-(pyrazol-1-ylmeth…

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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 8.83 -37.81 2 3 1 34 304.414 5 ↓
Hi High (pH 8-9.5) 3.46 7.61 -6.21 1 3 0 30 303.406 5 ↓

Analogs

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Popular Name: 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(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) 3.12 8.36 -39.38 2 3 1 34 286.424 4 ↓
Hi High (pH 8-9.5) 3.12 6.91 -8.25 1 3 0 30 285.416 4 ↓
Lo Low (pH 4.5-6) 3.12 8.39 -98.02 3 3 2 36 287.432 4 ↓

Analogs

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Popular Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(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) 3.49 9.55 -32.27 2 3 1 34 300.451 5 ↓
Hi High (pH 8-9.5) 3.49 8.16 -6.87 1 3 0 30 299.443 5 ↓
Lo Low (pH 4.5-6) 3.49 9.39 -93.04 3 3 2 36 301.459 5 ↓

Analogs

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Popular Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(3,5-dimethylpyrazol-1-yl)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) 2.86 6.46 -44.79 3 3 1 45 290.387 3 ↓
Hi High (pH 8-9.5) 2.86 6.09 -7.55 2 3 0 44 289.379 3 ↓
Lo Low (pH 4.5-6) 2.86 6.52 -101.14 4 3 2 47 291.395 3 ↓

Analogs

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Popular Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(3,5-dimethylpyrazol-1-yl)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) 2.74 6.49 -45.01 3 3 1 45 272.397 3 ↓
Hi High (pH 8-9.5) 2.74 6.09 -8.56 2 3 0 44 271.389 3 ↓
Lo Low (pH 4.5-6) 2.74 6.51 -104.52 4 3 2 47 273.405 3 ↓

Analogs

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Popular Name: 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(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) 3.23 8.33 -39.16 2 3 1 34 304.414 4 ↓
Hi High (pH 8-9.5) 3.23 6.9 -7.22 1 3 0 30 303.406 4 ↓
Lo Low (pH 4.5-6) 3.23 8.39 -94.36 3 3 2 36 305.422 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine N-methyl-1-[3-[(4-methylpyrazol-…

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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) 3.05 8.13 -41.25 2 3 1 34 272.397 4 ↓
Hi High (pH 8-9.5) 3.05 6.68 -7.84 1 3 0 30 271.389 4 ↓

Analogs

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Popular Name: N-[[3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(4-methylpyrazol-1-yl)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) 3.43 8.99 -39.72 2 3 1 34 286.424 5 ↓
Hi High (pH 8-9.5) 3.43 7.61 -6.83 1 3 0 30 285.416 5 ↓

Analogs

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Popular Name: N-[[3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-1-amine N-[[3-[(4-methylpyrazol-1-yl)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) 3.93 9.74 -40.42 2 3 1 34 300.451 6 ↓
Hi High (pH 8-9.5) 3.93 8.37 -6.72 1 3 0 30 299.443 6 ↓

Analogs

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Popular Name: N-[[3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-2-amine N-[[3-[(4-methylpyrazol-1-yl)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) 3.72 9.51 -38.03 2 3 1 34 300.451 5 ↓
Hi High (pH 8-9.5) 3.72 8.32 -7.33 1 3 0 30 299.443 5 ↓

Analogs

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Popular Name: [4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [4-fluoro-3-[(4-methylpyrazol-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 6.17 -52.9 3 3 1 45 276.36 3 ↓
Hi High (pH 8-9.5) 2.79 5.79 -9.26 2 3 0 44 275.352 3 ↓

Analogs

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Popular Name: [3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-methylpyrazol-1-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) 2.68 6.25 -47.03 3 3 1 45 258.37 3 ↓
Hi High (pH 8-9.5) 2.68 5.85 -8.22 2 3 0 44 257.362 3 ↓

Analogs

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Popular Name: 1-[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[4-fluoro-3-[(4-methylpyrazol-…

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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) 3.17 8.05 -47.26 2 3 1 34 290.387 4 ↓
Hi High (pH 8-9.5) 3.17 6.61 -8.75 1 3 0 30 289.379 4 ↓

Analogs

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Popular Name: N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[4-fluoro-3-[(4-methylpyrazol…

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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) 3.54 8.97 -39.48 2 3 1 34 304.414 5 ↓
Hi High (pH 8-9.5) 3.54 7.59 -6.34 1 3 0 30 303.406 5 ↓

Analogs

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Popular Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(4-chloropyrazol-1-yl)meth…

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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) 3.28 7.96 -43.4 2 3 1 34 292.815 4 ↓
Hi High (pH 8-9.5) 3.28 6.51 -6.47 1 3 0 30 291.807 4 ↓

Analogs

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Popular Name: N-[[3-[(4-chloropyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(4-chloropyrazol-1-yl)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) 3.66 8.83 -41.92 2 3 1 34 306.842 5 ↓
Hi High (pH 8-9.5) 3.66 7.44 -6.19 1 3 0 30 305.834 5 ↓

Analogs

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Popular Name: N-[[3-[(4-chloropyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-1-amine N-[[3-[(4-chloropyrazol-1-yl)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) 4.16 9.57 -42.75 2 3 1 34 320.869 6 ↓
Hi High (pH 8-9.5) 4.16 8.2 -6.1 1 3 0 30 319.861 6 ↓

Analogs

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Popular Name: N-[[3-[(4-chloropyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-2-amine N-[[3-[(4-chloropyrazol-1-yl)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) 3.95 9.35 -40.33 2 3 1 34 320.869 5 ↓
Hi High (pH 8-9.5) 3.95 8.12 -6.07 1 3 0 30 319.861 5 ↓

Analogs

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Popular Name: [3-[(4-chloropyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(4-chloropyrazol-1-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) 3.02 6.01 -53.02 3 3 1 45 296.778 3 ↓
Hi High (pH 8-9.5) 3.02 5.62 -8.37 2 3 0 44 295.77 3 ↓

Analogs

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Popular Name: [3-[(4-chloropyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-chloropyrazol-1-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) 2.91 6.02 -51.76 3 3 1 45 278.788 3 ↓
Hi High (pH 8-9.5) 2.91 5.64 -7.39 2 3 0 44 277.78 3 ↓

Analogs

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Popular Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(4-chloropyrazol-1-yl)meth…

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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) 3.40 7.94 -42.8 2 3 1 34 310.805 4 ↓
Hi High (pH 8-9.5) 3.40 6.49 -5.67 1 3 0 30 309.797 4 ↓

Analogs

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Popular Name: N-[[3-[(4-chloropyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methyl]ethanamine N-[[3-[(4-chloropyrazol-1-yl)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) 3.77 8.81 -41.38 2 3 1 34 324.832 5 ↓
Hi High (pH 8-9.5) 3.77 7.44 -5.38 1 3 0 30 323.824 5 ↓

Analogs

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Popular Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(4-bromopyrazol-1-yl)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) 3.41 8.05 -43.29 2 3 1 34 337.266 4 ↓
Hi High (pH 8-9.5) 3.41 6.61 -6.41 1 3 0 30 336.258 4 ↓

Analogs

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Popular Name: N-[[3-[(4-bromopyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(4-bromopyrazol-1-yl)meth…

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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) 3.79 8.92 -41.87 2 3 1 34 351.293 5 ↓
Hi High (pH 8-9.5) 3.79 7.54 -6.14 1 3 0 30 350.285 5 ↓

Analogs

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Popular Name: N-[[3-[(4-bromopyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-1-amine N-[[3-[(4-bromopyrazol-1-yl)meth…

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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) 4.29 9.67 -42.65 2 3 1 34 365.32 6 ↓
Hi High (pH 8-9.5) 4.29 8.31 -6 1 3 0 30 364.312 6 ↓

Analogs

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Popular Name: N-[[3-[(4-bromopyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]propan-2-amine N-[[3-[(4-bromopyrazol-1-yl)meth…

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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) 4.08 9.45 -40.21 2 3 1 34 365.32 5 ↓
Hi High (pH 8-9.5) 4.08 8.23 -5.98 1 3 0 30 364.312 5 ↓

Analogs

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Popular Name: [3-[(4-bromopyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methanamine [3-[(4-bromopyrazol-1-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) 3.15 6.11 -52.89 3 3 1 45 341.229 3 ↓
Hi High (pH 8-9.5) 3.15 5.73 -8.3 2 3 0 44 340.221 3 ↓

Analogs

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Popular Name: [3-[(4-bromopyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-bromopyrazol-1-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) 3.04 6.12 -51.61 3 3 1 45 323.239 3 ↓
Hi High (pH 8-9.5) 3.04 5.74 -7.33 2 3 0 44 322.231 3 ↓

Analogs

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Popular Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(4-bromopyrazol-1-yl)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) 3.53 8.04 -42.69 2 3 1 34 355.256 4 ↓
Hi High (pH 8-9.5) 3.53 6.6 -5.54 1 3 0 30 354.248 4 ↓

Analogs

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Popular Name: N-[[3-[(4-bromopyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]methyl]ethanamine N-[[3-[(4-bromopyrazol-1-yl)meth…

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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) 3.90 8.91 -41.32 2 3 1 34 369.283 5 ↓
Hi High (pH 8-9.5) 3.90 7.53 -5.33 1 3 0 30 368.275 5 ↓

Analogs

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Popular Name: N-methyl-1-[3-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine N-methyl-1-[3-[(3,4,5-trimethylp…

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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) 3.49 8.96 -39.31 2 3 1 34 300.451 4 ↓
Hi High (pH 8-9.5) 3.49 7.52 -8.29 1 3 0 30 299.443 4 ↓
Lo Low (pH 4.5-6) 3.49 9.11 -93.05 3 3 2 36 301.459 4 ↓

Analogs

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Popular Name: [4-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [4-fluoro-3-[(3,4,5-trimethylpyr…

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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) 3.24 7.24 -52.81 3 3 1 45 304.414 3 ↓
Hi High (pH 8-9.5) 3.24 7.01 -10.74 2 3 0 44 303.406 3 ↓
Lo Low (pH 4.5-6) 3.24 7.08 -100.5 4 3 2 47 305.422 3 ↓

Analogs

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Popular Name: 3-[(3-carbamoylpyrazol-1-yl)methyl]benzothiophene-2-carboxylic 3-[(3-carbamoylpyrazol-1-yl)meth…

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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) 1.75 4.76 -49 2 6 -1 101 300.319 4 ↓

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