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Analogs

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Popular Name: 3-(benzofuran-2-yl)-5-(chloromethyl)-1,2,4-oxadiazole 3-(benzofuran-2-yl)-5-(chloromet…

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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 4.64 -9.95 0 4 0 52 234.642 2 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-5-(2-chloroethyl)-1,2,4-oxadiazole 3-(benzofuran-2-yl)-5-(2-chloroe…

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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 5.43 -8.95 0 4 0 52 248.669 3 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-5-[(1S)-1-chloroethyl]-1,2,4-oxadiazole 3-(benzofuran-2-yl)-5-[(1S)-1-ch…

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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 5.33 -8.69 0 4 0 52 248.669 2 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-5-[(1R)-1-chloroethyl]-1,2,4-oxadiazole 3-(benzofuran-2-yl)-5-[(1R)-1-ch…

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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 5.32 -8.7 0 4 0 52 248.669 2 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-5-(3-chloropropyl)-1,2,4-oxadiazole 3-(benzofuran-2-yl)-5-(3-chlorop…

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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 6.2 -11.47 0 4 0 52 262.696 4 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-5-[(1S)-1-bromopropyl]-1,2,4-oxadiazole 3-(benzofuran-2-yl)-5-[(1S)-1-br…

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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) 4.07 6.12 -7.9 0 4 0 52 307.147 3 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-5-[(1R)-1-bromopropyl]-1,2,4-oxadiazole 3-(benzofuran-2-yl)-5-[(1R)-1-br…

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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) 4.07 6.12 -7.9 0 4 0 52 307.147 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanyl-propan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 0.78 4.09 -55.84 3 5 1 80 290.368 5 ↓
Hi High (pH 8-9.5) 0.78 3.79 -9.6 2 5 0 78 289.36 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanyl-propan-1-amine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 0.78 4.09 -55.78 3 5 1 80 290.368 5 ↓
Hi High (pH 8-9.5) 0.78 3.76 -10.91 2 5 0 78 289.36 5 ↓

Analogs

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Popular Name: (1S,2S)-1-amino-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2S)-1-amino-1-[3-(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) -0.28 -0.44 -53.49 4 6 1 100 260.273 3 ↓
Mid Mid (pH 6-8) -0.28 -0.76 -11.9 3 6 0 98 259.265 3 ↓

Analogs

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Popular Name: (1S,2R)-1-amino-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2R)-1-amino-1-[3-(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) -0.28 -0.19 -49.24 4 6 1 100 260.273 3 ↓
Mid Mid (pH 6-8) -0.28 -0.32 -12.01 3 6 0 98 259.265 3 ↓

Analogs

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Popular Name: (1R,2S)-1-amino-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2S)-1-amino-1-[3-(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) -0.28 -0.29 -48.86 4 6 1 100 260.273 3 ↓
Mid Mid (pH 6-8) -0.28 -0.38 -10.38 3 6 0 98 259.265 3 ↓

Analogs

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Popular Name: (1R,2R)-1-amino-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2R)-1-amino-1-[3-(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) -0.28 -0.44 -53.45 4 6 1 100 260.273 3 ↓
Mid Mid (pH 6-8) -0.28 -0.72 -10.36 3 6 0 98 259.265 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-propan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.11 3.37 -50.8 3 5 1 80 258.301 3 ↓
Hi High (pH 8-9.5) 1.11 3.08 -8.18 2 5 0 78 257.293 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-propan-1-amine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.11 3.46 -49.73 3 5 1 80 258.301 3 ↓
Hi High (pH 8-9.5) 1.11 3.13 -9.44 2 5 0 78 257.293 3 ↓

Analogs

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Popular Name: 3-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine 3-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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 2.95 -53.25 3 5 1 80 244.274 4 ↓

Analogs

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Popular Name: 1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-methanamine 1-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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) 2.05 3.29 -47.83 2 5 1 69 230.247 3 ↓
Hi High (pH 8-9.5) 2.05 1.85 -9.61 1 5 0 64 229.239 3 ↓

Analogs

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Popular Name: (1S,2R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1S,2R)-1-[3-(benzofuran-2-yl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 4.09 -51.11 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 1.61 3.81 -8.12 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: (1S,2S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1S,2S)-1-[3-(benzofuran-2-yl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 4.01 -51.75 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 1.61 3.74 -8.08 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: (1R,2R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1R,2R)-1-[3-(benzofuran-2-yl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 4.01 -51.77 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 1.61 3.7 -9.31 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: (1R,2S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1R,2S)-1-[3-(benzofuran-2-yl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 4.11 -51 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 1.61 3.79 -9.38 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (2R)-2-amino-2-[3-(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) -0.65 -1.22 -47.75 4 6 1 100 246.246 3 ↓
Mid Mid (pH 6-8) -0.65 -1.56 -9.74 3 6 0 98 245.238 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (2S)-2-amino-2-[3-(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) -0.65 -1.22 -47.76 4 6 1 100 246.246 3 ↓
Mid Mid (pH 6-8) -0.65 -1.61 -9.76 3 6 0 98 245.238 3 ↓

Analogs

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Popular Name: 5-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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 4.52 -50.45 3 5 1 80 272.328 6 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-butan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.64 4.12 -51.6 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 1.64 3.82 -9.23 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-butan-1-amine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.64 4.12 -51.44 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 1.64 3.84 -8.03 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: 2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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) 1.48 2.17 -55.44 3 5 1 80 230.247 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 0.36 2.06 -51.74 3 5 1 80 230.247 2 ↓
Hi High (pH 8-9.5) 0.36 1.73 -8.56 2 5 0 78 229.239 2 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 0.36 2.06 -51.73 3 5 1 80 230.247 2 ↓
Hi High (pH 8-9.5) 0.36 1.74 -9.81 2 5 0 78 229.239 2 ↓

Analogs

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Popular Name: 3-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-propan-1-amine 3-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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) 2.73 4.83 -48.53 2 5 1 69 258.301 5 ↓

Analogs

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Popular Name: 6-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine 6-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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) 3.03 5.3 -49.84 3 5 1 80 286.355 7 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 0.86 2.87 -50.17 3 5 1 80 244.274 3 ↓
Hi High (pH 8-9.5) 0.86 2.54 -9.33 2 5 0 78 243.266 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 0.86 2.87 -50.17 3 5 1 80 244.274 3 ↓
Hi High (pH 8-9.5) 0.86 2.57 -8.22 2 5 0 78 243.266 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-propan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.69 3.86 -50.39 3 5 1 80 272.328 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-propan-1-amine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.69 3.85 -50.35 3 5 1 80 272.328 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.93 4.41 -52.1 3 5 1 80 272.328 5 ↓
Hi High (pH 8-9.5) 1.93 4.08 -9.19 2 5 0 78 271.32 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.93 4.41 -52.09 3 5 1 80 272.328 5 ↓
Hi High (pH 8-9.5) 1.93 4.13 -8.13 2 5 0 78 271.32 5 ↓

Analogs

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Popular Name: (2S)-2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(benzofuran-2-yl)-1,2,…

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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) 3.75 4.06 -45.78 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 3.75 3.85 -7.57 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(benzofuran-2-yl)-1,2,…

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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) 3.75 4.06 -45.7 3 5 1 80 272.328 4 ↓
Hi High (pH 8-9.5) 3.75 3.77 -9.61 2 5 0 78 271.32 4 ↓

Analogs

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Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.42 3.63 -51.55 3 5 1 80 258.301 4 ↓
Hi High (pH 8-9.5) 1.42 3.3 -9.26 2 5 0 78 257.293 4 ↓

Analogs

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Popular Name: (1R)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 1.42 3.63 -51.57 3 5 1 80 258.301 4 ↓
Hi High (pH 8-9.5) 1.42 3.34 -8.13 2 5 0 78 257.293 4 ↓

Analogs

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Popular Name: N-[[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine N-[[3-(benzofuran-2-yl)-1,2,4-ox…

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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) 2.73 4.69 -44.9 2 5 1 69 258.301 4 ↓
Hi High (pH 8-9.5) 2.73 3.48 -9.21 1 5 0 64 257.293 4 ↓

Analogs

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Popular Name: N-[2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine N-[2-[3-(benzofuran-2-yl)-1,2,4-…

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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) 3.13 5.42 -47.99 2 5 1 69 272.328 5 ↓

Analogs

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Popular Name: 3-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-isopropyl-propan-1-amine 3-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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 6.21 -46.92 2 5 1 69 286.355 6 ↓

Analogs

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Popular Name: N-[2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-propan-2-amine N-[2-[3-(benzofuran-2-yl)-1,2,4-…

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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) 3.64 5.86 -46.73 2 5 1 69 286.355 5 ↓

Analogs

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Popular Name: (2R)-N-[[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2R)-N-[[3-(benzofuran-2-yl)-1,2…

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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) 3.26 5.49 -44.19 2 5 1 69 272.328 5 ↓
Hi High (pH 8-9.5) 3.26 4.43 -9.14 1 5 0 64 271.32 5 ↓

Analogs

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Popular Name: (2S)-N-[[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2S)-N-[[3-(benzofuran-2-yl)-1,2…

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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) 3.26 5.48 -44.4 2 5 1 69 272.328 5 ↓
Hi High (pH 8-9.5) 3.26 4.27 -9.06 1 5 0 64 271.32 5 ↓

Analogs

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Popular Name: 2-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-ethanamine 2-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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 4.9 -49.14 2 5 1 69 258.301 5 ↓

Analogs

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Popular Name: 4-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-2-amine 4-[3-(benzofuran-2-yl)-1,2,4-oxa…

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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 4.15 -52.74 3 5 1 80 272.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-ethanamine (1S)-1-[3-(benzofuran-2-yl)-1,2,…

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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) 2.61 3.77 -45.77 2 5 1 69 244.274 3 ↓
Hi High (pH 8-9.5) 2.61 2.46 -8.31 1 5 0 64 243.266 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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