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Analogs

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Popular Name: [2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(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) 2.84 6.31 -49.32 3 4 1 59 335.225 3 ↓
Hi High (pH 8-9.5) 2.84 5.9 -7.38 2 4 0 57 334.217 3 ↓

Analogs

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Popular Name: 1-[2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzofuran-3-yl]-N-methyl-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) 3.21 8.18 -43.54 2 4 1 48 349.252 4 ↓

Analogs

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Popular Name: [2-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(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) 2.71 6.22 -49.46 3 4 1 59 290.774 3 ↓
Hi High (pH 8-9.5) 2.71 5.82 -7.39 2 4 0 57 289.766 3 ↓

Analogs

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Popular Name: 1-[2-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzofuran-3-yl]-N-methyl-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) 3.08 8.09 -43.67 2 4 1 48 304.801 4 ↓

Analogs

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

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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) 1.66 5.22 -40.79 3 4 1 59 228.275 3 ↓
Hi High (pH 8-9.5) 1.66 4.83 -9.5 2 4 0 57 227.267 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-(pyrazol-1-ylmethyl)benzofuran-3-yl]methanamine N-methyl-1-[2-(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) 2.03 6.57 -43.42 2 4 1 48 242.302 4 ↓

Analogs

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

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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) 2.41 7.42 -41.98 2 4 1 48 256.329 5 ↓

Analogs

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

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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 8.16 -42.71 2 4 1 48 270.356 6 ↓

Analogs

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

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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) 2.71 7.94 -40.32 2 4 1 48 270.356 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(pyrazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-2-amine 2-methyl-N-[[2-(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) 3.22 8.36 -38.48 2 4 1 48 284.383 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(pyrazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-1-amine 2-methyl-N-[[2-(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) 3.15 8.87 -42.47 2 4 1 48 284.383 6 ↓

Analogs

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Popular Name: [2-[(3,5-dimethylpyrazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(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) 2.10 5.73 -47.51 3 4 1 59 256.329 3 ↓
Hi High (pH 8-9.5) 2.10 5.33 -8.34 2 4 0 57 255.321 3 ↓

Analogs

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Popular Name: 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]benzofuran-3-yl]-N-methyl-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) 2.48 7.6 -41.79 2 4 1 48 270.356 4 ↓

Analogs

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Popular Name: N-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]benzofuran-3-yl]methyl]ethanamine N-[[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) 2.85 8.63 -36 2 4 1 48 284.383 5 ↓

Analogs

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Popular Name: [2-[(4-methylpyrazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(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) 2.04 5.35 -48.98 3 4 1 59 242.302 3 ↓
Hi High (pH 8-9.5) 2.04 4.95 -9.45 2 4 0 57 241.294 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-[(4-methylpyrazol-1-yl)methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[(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) 2.41 7.22 -43.21 2 4 1 48 256.329 4 ↓

Analogs

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Popular Name: N-[[2-[(4-methylpyrazol-1-yl)methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[(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) 2.79 8.08 -41.79 2 4 1 48 270.356 5 ↓

Analogs

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Popular Name: N-[[2-[(4-methylpyrazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[(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) 3.29 8.85 -42.53 2 4 1 48 284.383 6 ↓

Analogs

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Popular Name: N-[[2-[(4-methylpyrazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[(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) 3.08 8.59 -40.15 2 4 1 48 284.383 5 ↓

Analogs

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Popular Name: [2-[(4-chloropyrazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(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) 2.26 5.72 -43.21 3 4 1 59 262.72 3 ↓
Hi High (pH 8-9.5) 2.26 5.33 -8.89 2 4 0 57 261.712 3 ↓

Analogs

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Popular Name: 1-[2-[(4-chloropyrazol-1-yl)methyl]benzofuran-3-yl]-N-methyl-methanamine 1-[2-[(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) 2.64 7.06 -45.28 2 4 1 48 276.747 4 ↓

Analogs

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Popular Name: N-[[2-[(4-chloropyrazol-1-yl)methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[(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) 3.02 7.92 -43.92 2 4 1 48 290.774 5 ↓

Analogs

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Popular Name: N-[[2-[(4-chloropyrazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[(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) 3.52 8.67 -44.77 2 4 1 48 304.801 6 ↓

Analogs

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Popular Name: N-[[2-[(4-chloropyrazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[(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) 3.31 8.45 -42.3 2 4 1 48 304.801 5 ↓

Analogs

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Popular Name: [2-[(4-bromopyrazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(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) 2.40 5.83 -43.13 3 4 1 59 307.171 3 ↓
Hi High (pH 8-9.5) 2.40 5.43 -8.76 2 4 0 57 306.163 3 ↓

Analogs

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Popular Name: 1-[2-[(4-bromopyrazol-1-yl)methyl]benzofuran-3-yl]-N-methyl-methanamine 1-[2-[(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) 2.77 7.16 -45.18 2 4 1 48 321.198 4 ↓

Analogs

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Popular Name: N-[[2-[(4-bromopyrazol-1-yl)methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[(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) 3.15 8.02 -43.84 2 4 1 48 335.225 5 ↓

Analogs

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Popular Name: N-[[2-[(4-bromopyrazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[(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) 3.65 8.77 -44.69 2 4 1 48 349.252 6 ↓

Analogs

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Popular Name: N-[[2-[(4-bromopyrazol-1-yl)methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[(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) 3.44 8.55 -42.18 2 4 1 48 349.252 5 ↓

Analogs

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Popular Name: 2-[(3-carbamoylpyrazol-1-yl)methyl]benzofuran-3-carboxylic 2-[(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) 1.10 3.92 -55.8 2 7 -1 114 284.251 4 ↓

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filter.purchasability = annotated
page.format = targets
page.num = 1

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 259830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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