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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

48953456
48953456
8210437
8210437
8210266
8210266
38342440
38342440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-fluoro-3-methyl-benzofuran-2-yl)methyl]cyclopropanamine N-[(5-fluoro-3-methyl-benzofuran…

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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) 1.97 7.19 -40.89 2 2 1 30 220.267 3 ↓

Analogs

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Popular Name: N-[[3-(diethylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-[[3-(diethylaminomethyl)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 9.75 -105.92 3 3 2 34 274.408 7 ↓
Hi High (pH 8-9.5) 2.91 7.42 -38.88 2 3 1 33 273.4 7 ↓

Analogs

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Popular Name: N-[[3-[[butyl(methyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[butyl(methyl)amino]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) 3.60 10.51 -111.81 3 3 2 34 288.435 8 ↓
Hi High (pH 8-9.5) 3.60 8.16 -38.2 2 3 1 33 287.427 8 ↓

Analogs

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Popular Name: N-[[3-[[isopropyl(methyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[isopropyl(methyl)amino]m…

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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) 2.83 9.3 -106.77 3 3 2 34 274.408 6 ↓
Hi High (pH 8-9.5) 2.83 6.88 -38.32 2 3 1 33 273.4 6 ↓

Analogs

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Popular Name: N-[[3-(dimethylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-[[3-(dimethylaminomethyl)benzo…

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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) 2.16 8.32 -108.62 3 3 2 34 246.354 5 ↓
Hi High (pH 8-9.5) 2.16 5.63 -38.19 2 3 1 33 245.346 5 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(1R)-1-methylpropyl]amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[methyl-[(1R)-1-methylpro…

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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) 3.37 9.89 -105.58 3 3 2 34 288.435 7 ↓
Hi High (pH 8-9.5) 3.37 7.94 -38.23 2 3 1 33 287.427 7 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(1S)-1-methylpropyl]amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[methyl-[(1S)-1-methylpro…

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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) 3.37 10.01 -104.18 3 3 2 34 288.435 7 ↓
Hi High (pH 8-9.5) 3.37 8.02 -37.72 2 3 1 33 287.427 7 ↓

Analogs

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Popular Name: N-[[3-[[methyl(propyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[methyl(propyl)amino]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) 3.04 9.71 -110.3 3 3 2 34 274.408 7 ↓
Hi High (pH 8-9.5) 3.04 7.39 -37.98 2 3 1 33 273.4 7 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-methyl-cyclopropanamine N-[[3-(aminomethyl)benzofuran-2-…

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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 6.46 -113.1 4 3 2 45 232.327 4 ↓
Hi High (pH 8-9.5) 1.78 6.05 -35.19 3 3 1 44 231.319 4 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-methyl-N-[[3-(methylaminomethy…

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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) 2.16 8.33 -106.86 3 3 2 34 246.354 5 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)benzofuran-2-yl]methyl]-N-methyl-cyclopropanamine N-[[3-(ethylaminomethyl)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) 2.53 9.19 -107.22 3 3 2 34 260.381 6 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(propylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-methyl-N-[[3-(propylaminomethy…

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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 9.94 -109.05 3 3 2 34 274.408 7 ↓

Analogs

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Popular Name: N-[[3-[(isopropylamino)methyl]benzofuran-2-yl]methyl]-N-methyl-cyclopropanamine N-[[3-[(isopropylamino)methyl]be…

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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) 2.83 9.71 -106.36 3 3 2 34 274.408 6 ↓

Analogs

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Popular Name: N-[[3-[(tert-butylamino)methyl]benzofuran-2-yl]methyl]-N-methyl-cyclopropanamine N-[[3-[(tert-butylamino)methyl]b…

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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 10.14 -103.49 3 3 2 34 288.435 6 ↓

Analogs

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Popular Name: N-[[3-[(isobutylamino)methyl]benzofuran-2-yl]methyl]-N-methyl-cyclopropanamine N-[[3-[(isobutylamino)methyl]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) 3.28 10.63 -110.34 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[3-[[ethyl(methyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[ethyl(methyl)amino]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) 2.53 8.98 -108.69 3 3 2 34 260.381 6 ↓
Hi High (pH 8-9.5) 2.53 6.64 -37.93 2 3 1 33 259.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[ethyl(isopropyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[ethyl(isopropyl)amino]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) 3.21 9.62 -107.69 3 3 2 34 288.435 7 ↓
Hi High (pH 8-9.5) 3.21 7.62 -38.52 2 3 1 33 287.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[ethyl(propyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[ethyl(propyl)amino]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 10.51 -107.48 3 3 2 34 288.435 8 ↓
Hi High (pH 8-9.5) 3.41 8.37 -37.36 2 3 1 33 287.427 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-propyl-cyclopropanamine N-[[3-(aminomethyl)benzofuran-2-…

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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) 2.66 7.88 -114.18 4 3 2 45 260.381 6 ↓
Hi High (pH 8-9.5) 2.66 7.48 -34.41 3 3 1 44 259.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]-N-propyl-cyclopropanamine N-[[3-(methylaminomethyl)benzofu…

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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 9.75 -107.84 3 3 2 34 274.408 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(ethylaminomethyl)benzofuran-2-yl]methyl]-N-propyl-cyclopropanamine N-[[3-(ethylaminomethyl)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) 3.41 10.62 -108.19 3 3 2 34 288.435 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-ethyl-cyclopropanamine N-[[3-(aminomethyl)benzofuran-2-…

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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) 2.16 7.13 -112.84 4 3 2 45 246.354 5 ↓
Hi High (pH 8-9.5) 2.16 6.69 -31.05 3 3 1 44 245.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-ethyl-N-[[3-(methylaminomethyl…

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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) 2.53 8.97 -106.4 3 3 2 34 260.381 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(ethylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-ethyl-N-[[3-(ethylaminomethyl)…

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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 9.83 -106.78 3 3 2 34 274.408 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(propylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-ethyl-N-[[3-(propylaminomethyl…

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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 10.61 -109.25 3 3 2 34 288.435 8 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-[(isopropylamino)methyl]benzofuran-2-yl]methyl]cyclopropanamine N-ethyl-N-[[3-[(isopropylamino)m…

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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 10.38 -104.07 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[3-[[isobutyl(methyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[isobutyl(methyl)amino]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) 3.28 10.44 -110.43 3 3 2 34 288.435 7 ↓
Hi High (pH 8-9.5) 3.28 8.37 -38.27 2 3 1 33 287.427 7 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-(aminomethyl)benzofuran-2-…

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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 7.48 -119.97 4 3 2 45 300.324 6 ↓
Hi High (pH 8-9.5) 2.71 5.22 -43.72 3 3 1 44 299.316 6 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-butyl-cyclopropanamine N-[[3-(aminomethyl)benzofuran-2-…

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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 8.65 -115.13 4 3 2 45 274.408 7 ↓
Hi High (pH 8-9.5) 3.22 8.24 -31.7 3 3 1 44 273.4 7 ↓

Analogs

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Popular Name: N-butyl-N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-butyl-N-[[3-(methylaminomethyl…

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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 10.52 -108.7 3 3 2 34 288.435 8 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-isobutyl-cyclopropanamine N-[[3-(aminomethyl)benzofuran-2-…

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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 8.48 -113.8 4 3 2 45 274.408 6 ↓
Hi High (pH 8-9.5) 2.91 8.11 -30.88 3 3 1 44 273.4 6 ↓

Analogs

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Popular Name: N-isobutyl-N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-isobutyl-N-[[3-(methylaminomet…

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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 10.35 -107.47 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[3-(aminomethyl)benzofuran-2-…

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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 6.27 -111.59 4 4 2 54 276.38 7 ↓
Hi High (pH 8-9.5) 1.77 3.39 -53.97 3 4 1 53 275.372 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[3-(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) 2.14 8.13 -105.37 3 4 2 43 290.407 8 ↓
Hi High (pH 8-9.5) 2.14 5.77 -42.75 2 4 1 42 289.399 8 ↓

Analogs

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Popular Name: N-[[3-[[2-methoxyethyl(methyl)amino]methyl]benzofuran-2-yl]methyl]cyclopropanamine N-[[3-[[2-methoxyethyl(methyl)am…

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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) 2.14 8.14 -104.82 3 4 2 43 290.407 8 ↓
Mid Mid (pH 6-8) 2.14 5.78 -38.74 2 4 1 42 289.399 8 ↓

Analogs

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Popular Name: (2R)-2-(5-bromobenzofuran-2-yl)-2-(cyclopropylamino)propanoic (2R)-2-(5-bromobenzofuran-2-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) 3.09 7.89 -28.34 2 4 0 70 324.174 4 ↓

Analogs

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Popular Name: (2S)-2-(5-bromobenzofuran-2-yl)-2-(cyclopropylamino)propanoic (2S)-2-(5-bromobenzofuran-2-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) 3.09 7.95 -29.22 2 4 0 70 324.174 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-methylbenzofuran-2-yl)ethyl]cyclopropanamine N-[(1R)-1-(3-methylbenzofuran-2-…

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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) 3.36 7.59 -34.79 2 2 1 30 216.304 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-methylbenzofuran-2-yl)ethyl]cyclopropanamine N-[(1S)-1-(3-methylbenzofuran-2-…

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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) 3.36 7.59 -34.52 2 2 1 30 216.304 3 ↓

Analogs

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Popular Name: (2R)-2-(5-bromobenzofuran-2-yl)-2-(cyclopropylamino)propan-1-ol (2R)-2-(5-bromobenzofuran-2-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) 3.21 4.86 -34.01 3 3 1 50 311.199 4 ↓
Hi High (pH 8-9.5) 3.21 3.74 -6.23 2 3 0 45 310.191 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-bromobenzofuran-2-yl)-2-(cyclopropylamino)propan-1-ol (2S)-2-(5-bromobenzofuran-2-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) 3.21 4.87 -34.34 3 3 1 50 311.199 4 ↓
Hi High (pH 8-9.5) 3.21 3.66 -6.95 2 3 0 45 310.191 4 ↓

Parameters Provided:

ring.id = 5849
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 = 5849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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