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Analogs

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Popular Name: 1-[3-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2R)-2-ethylpyrrolidin-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) 3.06 9.45 -104.97 3 3 2 34 274.408 5 ↓
Hi High (pH 8-9.5) 3.06 7.28 -37.2 2 3 1 33 273.4 5 ↓

Analogs

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Popular Name: 1-[3-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-2-yl]-N-methyl-methanamine 1-[3-[[(2S)-2-ethylpyrrolidin-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) 3.06 8.77 -105.84 3 3 2 34 274.408 5 ↓
Hi High (pH 8-9.5) 3.06 6.49 -43.03 2 3 1 33 273.4 5 ↓

Analogs

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Popular Name: N-[[3-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(2R)-2-ethylpyrrolidin-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) 3.44 10.29 -104.24 3 3 2 34 288.435 6 ↓
Hi High (pH 8-9.5) 3.44 8.12 -35.87 2 3 1 33 287.427 6 ↓

Analogs

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Popular Name: N-[[3-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(2S)-2-ethylpyrrolidin-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) 3.44 9.63 -106.14 3 3 2 34 288.435 6 ↓
Hi High (pH 8-9.5) 3.44 7.35 -41.91 2 3 1 33 287.427 6 ↓

Analogs

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Popular Name: [3-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R)-2-ethylpyrrolidin-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) 2.69 7.64 -112.22 4 3 2 45 260.381 4 ↓
Hi High (pH 8-9.5) 2.69 5.5 -42.56 3 3 1 44 259.373 4 ↓

Analogs

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Popular Name: [3-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S)-2-ethylpyrrolidin-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) 2.69 6.9 -112.28 4 3 2 45 260.381 4 ↓
Hi High (pH 8-9.5) 2.69 4.61 -49.23 3 3 1 44 259.373 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(2R)-2-methylpyr…

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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) 2.52 8.88 -108.02 3 3 2 34 260.381 4 ↓
Hi High (pH 8-9.5) 2.52 6.47 -38.08 2 3 1 33 259.373 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(2S)-2-methylpyr…

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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) 2.52 8.4 -109.29 3 3 2 34 260.381 4 ↓
Hi High (pH 8-9.5) 2.52 5.91 -37.62 2 3 1 33 259.373 4 ↓

Analogs

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Popular Name: N-[[3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(2S)-2-methylpyrrolidin-…

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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) 2.90 9.44 -107.68 3 3 2 34 274.408 5 ↓
Hi High (pH 8-9.5) 2.90 7.26 -39.69 2 3 1 33 273.4 5 ↓

Analogs

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Popular Name: N-[[3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(2R)-2-methylpyrrolidin-…

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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) 2.90 9.59 -108.57 3 3 2 34 274.408 5 ↓
Hi High (pH 8-9.5) 2.90 7.37 -37 2 3 1 33 273.4 5 ↓

Analogs

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Popular Name: N-[[3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-1-amine N-[[3-[[(2S)-2-methylpyrrolidin-…

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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 10.19 -109.63 3 3 2 34 288.435 6 ↓
Hi High (pH 8-9.5) 3.40 8.01 -40.47 2 3 1 33 287.427 6 ↓

Analogs

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Popular Name: N-[[3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-1-amine N-[[3-[[(2R)-2-methylpyrrolidin-…

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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 10.34 -110.65 3 3 2 34 288.435 6 ↓
Hi High (pH 8-9.5) 3.40 8.12 -37.62 2 3 1 33 287.427 6 ↓

Analogs

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Popular Name: N-[[3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-2-amine N-[[3-[[(2R)-2-methylpyrrolidin-…

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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) 3.20 10.27 -107.19 3 3 2 34 288.435 5 ↓
Hi High (pH 8-9.5) 3.20 7.85 -35.06 2 3 1 33 287.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-2-amine N-[[3-[[(2S)-2-methylpyrrolidin-…

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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) 3.20 9.78 -108.48 3 3 2 34 288.435 5 ↓
Hi High (pH 8-9.5) 3.20 7.29 -34.77 2 3 1 33 287.427 5 ↓

Analogs

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Popular Name: [3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2R)-2-methylpyrrolidin-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) 2.15 6.99 -114.72 4 3 2 45 246.354 3 ↓
Hi High (pH 8-9.5) 2.15 4.6 -43.54 3 3 1 44 245.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine [3-[[(2S)-2-methylpyrrolidin-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) 2.15 6.53 -116.22 4 3 2 45 246.354 3 ↓
Hi High (pH 8-9.5) 2.15 4.03 -43.17 3 3 1 44 245.346 3 ↓

Analogs

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Popular Name: N-methyl-1-[3-(pyrrolidin-1-ylmethyl)benzofuran-2-yl]methanamine N-methyl-1-[3-(pyrrolidin-1-ylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 7.94 -109.47 3 3 2 34 246.354 4 ↓
Hi High (pH 8-9.5) 2.19 5.55 -40.66 2 3 1 33 245.346 4 ↓

Analogs

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

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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 8.8 -109.86 3 3 2 34 260.381 5 ↓
Hi High (pH 8-9.5) 2.57 6.41 -39.39 2 3 1 33 259.373 5 ↓

Analogs

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

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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) 3.07 9.55 -111.75 3 3 2 34 274.408 6 ↓
Hi High (pH 8-9.5) 3.07 7.17 -40.25 2 3 1 33 273.4 6 ↓

Analogs

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

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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) 2.87 9.33 -109.24 3 3 2 34 274.408 5 ↓
Hi High (pH 8-9.5) 2.87 6.95 -37.75 2 3 1 33 273.4 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 9.75 -106.35 3 3 2 34 288.435 5 ↓
Hi High (pH 8-9.5) 3.38 7.36 -35.49 2 3 1 33 287.427 5 ↓

Analogs

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

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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) 3.32 10.24 -112.29 3 3 2 34 288.435 6 ↓
Hi High (pH 8-9.5) 3.32 7.86 -39.99 2 3 1 33 287.427 6 ↓

Analogs

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Popular Name: [3-(pyrrolidin-1-ylmethyl)benzofuran-2-yl]methanamine [3-(pyrrolidin-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) 1.82 6.19 -115.47 4 3 2 45 232.327 3 ↓
Hi High (pH 8-9.5) 1.82 3.76 -46.28 3 3 1 44 231.319 3 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(3R)-3-methylpyr…

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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 8.81 -111.68 3 3 2 34 260.381 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine N-methyl-1-[3-[[(3S)-3-methylpyr…

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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 8.74 -112.3 3 3 2 34 260.381 4 ↓

Analogs

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Popular Name: N-[[3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(3S)-3-methylpyrrolidin-…

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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 9.73 -111.92 3 3 2 34 274.408 5 ↓

Analogs

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Popular Name: N-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]ethanamine N-[[3-[[(3R)-3-methylpyrrolidin-…

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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 9.6 -112.23 3 3 2 34 274.408 5 ↓

Analogs

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Popular Name: N-[[3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-1-amine N-[[3-[[(3S)-3-methylpyrrolidin-…

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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 10.48 -114.03 3 3 2 34 288.435 6 ↓

Analogs

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Popular Name: N-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-1-amine N-[[3-[[(3R)-3-methylpyrrolidin-…

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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 10.34 -114.31 3 3 2 34 288.435 6 ↓

Analogs

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Popular Name: N-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-2-amine N-[[3-[[(3R)-3-methylpyrrolidin-…

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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) 3.34 10.2 -108.86 3 3 2 34 288.435 5 ↓

Analogs

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Popular Name: N-[[3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methyl]propan-2-amine N-[[3-[[(3S)-3-methylpyrrolidin-…

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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) 3.34 10.13 -109.54 3 3 2 34 288.435 5 ↓

Analogs

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Popular Name: [3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine [3-[[(3R)-3-methylpyrrolidin-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) 2.30 6.94 -118.38 4 3 2 45 246.354 3 ↓

Analogs

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Popular Name: [3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-2-yl]methanamine [3-[[(3S)-3-methylpyrrolidin-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) 2.30 6.86 -119.1 4 3 2 45 246.354 3 ↓

Analogs

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Popular Name: 3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzofuran-2-carboxylic 3-[[(3R)-3-(dimethylamino)pyrrol…

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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 7.34 -70.29 1 5 0 61 288.347 4 ↓
Hi High (pH 8-9.5) 1.96 4.93 -53.9 0 5 -1 60 287.339 4 ↓
Lo Low (pH 4.5-6) 1.96 9.7 -98.65 2 5 1 62 289.355 4 ↓

Analogs

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Popular Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzofuran-2-carboxylic 3-[[(3S)-3-(dimethylamino)pyrrol…

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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 7.54 -68.5 1 5 0 61 288.347 4 ↓
Hi High (pH 8-9.5) 1.96 5.15 -53.73 0 5 -1 60 287.339 4 ↓
Lo Low (pH 4.5-6) 1.96 9.92 -97.41 2 5 1 62 289.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[2-(aminomethyl)benzofur…

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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) 1.57 4.65 -99.72 4 4 2 48 275.396 4 ↓
Hi High (pH 8-9.5) 1.57 2.25 -47.64 3 4 1 47 274.388 4 ↓
Lo Low (pH 4.5-6) 1.57 7 -211.82 5 4 3 50 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[2-(aminomethyl)benzofur…

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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) 1.57 4.83 -100.14 4 4 2 48 275.396 4 ↓
Hi High (pH 8-9.5) 1.57 2.44 -44.79 3 4 1 47 274.388 4 ↓
Lo Low (pH 4.5-6) 1.57 7.36 -215.72 5 4 3 50 276.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[2-(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) 1.94 6.33 -98.37 3 4 2 37 289.423 5 ↓
Hi High (pH 8-9.5) 1.94 3.93 -42.5 2 4 1 36 288.415 5 ↓
Lo Low (pH 4.5-6) 1.94 9.35 -209.72 4 4 3 39 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,N-dimethyl-1-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[2-(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) 1.94 6.61 -94.28 3 4 2 37 289.423 5 ↓
Hi High (pH 8-9.5) 1.94 4.23 -41.89 2 4 1 36 288.415 5 ↓
Lo Low (pH 4.5-6) 1.94 9.01 -206.35 4 4 3 39 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[(2-ethylbenzofuran-3-yl)methyl]pyrrolidin-3-yl]methyl]-2,2-difluoro-acetamide N-[[(3R)-1-[(2-ethylbenzofuran-3…

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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) 2.97 8.89 -50.34 2 4 1 47 337.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(2-ethylbenzofuran-3-yl)methyl]pyrrolidin-3-yl]methyl]-2,2-difluoro-acetamide N-[[(3S)-1-[(2-ethylbenzofuran-3…

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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) 2.97 8.67 -51.14 2 4 1 47 337.39 6 ↓

Parameters Provided:

ring.id = 224715
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 224715 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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