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Analogs

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Popular Name: (2S)-1-[5-(5-bromo-3-pyridyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-(5-bromo-3-pyridyl)-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) 0.98 1.22 -42.09 3 5 1 79 284.137 3 ↓

Analogs

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Popular Name: (2R)-1-[5-(5-bromo-3-pyridyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-(5-bromo-3-pyridyl)-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) 0.98 1.1 -40.02 3 5 1 79 284.137 3 ↓

Analogs

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Popular Name: 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol 5-[3-(2,2-dimethylpropyl)-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) 2.45 2.52 -24.9 1 5 0 76 233.271 3 ↓
Hi High (pH 8-9.5) 2.45 2.07 -38.72 0 5 -1 75 232.263 3 ↓
Mid Mid (pH 6-8) 2.45 1.31 -7.19 1 5 0 72 233.271 3 ↓

Analogs

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Popular Name: 3-(chloromethyl)-5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazole 3-(chloromethyl)-5-(2-methoxy-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) 1.40 1.73 -10.02 0 5 0 61 225.635 3 ↓

Analogs

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Popular Name: [5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]methanamine [5-(2-methoxy-3-pyridyl)-1,2,4-o…

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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) 0.01 -1.47 -49.21 3 6 1 89 207.213 3 ↓
Hi High (pH 8-9.5) 0.01 -1.86 -10.3 2 6 0 87 206.205 3 ↓

Analogs

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

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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) -1.31 -0.92 -45.73 3 6 1 89 221.24 3 ↓
Hi High (pH 8-9.5) -1.31 -1.24 -10.39 2 6 0 87 220.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -1.31 -0.92 -45.72 3 6 1 89 221.24 3 ↓
Hi High (pH 8-9.5) -1.31 -1.29 -10.79 2 6 0 87 220.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.81 -0.11 -44.24 3 6 1 89 235.267 4 ↓
Hi High (pH 8-9.5) -0.81 -0.43 -10.16 2 6 0 87 234.259 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.81 -0.11 -44.23 3 6 1 89 235.267 4 ↓
Hi High (pH 8-9.5) -0.81 -0.41 -8.81 2 6 0 87 234.259 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.25 0.65 -45.38 3 6 1 89 249.294 5 ↓
Hi High (pH 8-9.5) -0.25 0.37 -8.74 2 6 0 87 248.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.25 0.65 -45.41 3 6 1 89 249.294 5 ↓
Hi High (pH 8-9.5) -0.25 0.34 -10.07 2 6 0 87 248.286 5 ↓

Analogs

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

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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) -0.56 0.13 -44.77 3 6 1 89 249.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.56 0.6 -44.29 3 6 1 89 249.294 4 ↓

Analogs

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

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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) 0.02 0.74 -44.72 3 6 1 89 263.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.02 0.73 -44.72 3 6 1 89 263.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(2-methoxy-3-pyridyl)-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) 1.01 -0.33 -46.71 3 6 1 89 235.267 3 ↓
Hi High (pH 8-9.5) 1.01 -0.58 -10.41 2 6 0 87 234.259 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-(2-methoxy-3-pyridyl)-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) 2.02 1.17 -45.73 3 6 1 89 263.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.52 0.41 -45.17 3 6 1 89 249.294 4 ↓
Hi High (pH 8-9.5) 1.52 0.13 -10.29 2 6 0 87 248.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.52 0.29 -44.4 3 6 1 89 249.294 4 ↓
Hi High (pH 8-9.5) 1.52 0.06 -9.03 2 6 0 87 248.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-(2-methoxy-3-pyridyl)-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) -0.19 -0.76 -52.27 3 6 1 89 221.24 4 ↓

Analogs

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Popular Name: 1-[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]-N-methyl-methanamine 1-[5-(2-methoxy-3-pyridyl)-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) 0.38 0.41 -43.44 2 6 1 78 221.24 4 ↓
Hi High (pH 8-9.5) 0.38 -1.02 -10.13 1 6 0 73 220.232 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]-N-methyl-ethanamine 2-[5-(2-methoxy-3-pyridyl)-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) 0.79 1.12 -47.18 2 6 1 78 235.267 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-(2-methoxy-3-pyridyl)-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) 0.76 1.26 -42.41 2 6 1 78 235.267 5 ↓
Hi High (pH 8-9.5) 0.76 -0.09 -9.94 1 6 0 73 234.259 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-(2-methoxy-3-pyridyl)-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) 1.06 1.79 -40.5 2 6 1 78 249.294 5 ↓
Hi High (pH 8-9.5) 1.06 0.58 -9.85 1 6 0 73 248.286 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(2-methoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-(2-methoxy-3-pyridyl)-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) 0.08 0.02 -51.64 3 6 1 89 235.267 5 ↓

Analogs

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

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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) 0.13 -0.26 -51.85 3 6 1 89 235.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.13 -0.26 -51.8 3 6 1 89 235.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.21 -0.02 -44.97 3 6 1 89 235.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.21 -0.15 -41.67 3 6 1 89 235.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.75 0.79 -44.6 3 6 1 89 249.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.75 0.67 -41.21 3 6 1 89 249.294 5 ↓

Analogs

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Popular Name: 5-[3-(2-diethylaminoethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 5-[3-(2-diethylaminoethyl)-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) 1.24 3.04 -37.87 3 6 1 82 262.337 6 ↓
Hi High (pH 8-9.5) 1.24 0.92 -6.68 2 6 0 81 261.329 6 ↓
Lo Low (pH 4.5-6) 1.24 3.49 -84.05 4 6 2 84 263.345 6 ↓

Analogs

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Popular Name: 5-(3-isobutyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine 5-(3-isobutyl-1,2,4-oxadiazol-5-…

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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 1.76 -7.12 2 5 0 78 218.26 3 ↓
Lo Low (pH 4.5-6) 1.57 2.08 -37.43 3 5 1 79 219.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine 5-(3-isopropyl-1,2,4-oxadiazol-5…

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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) 1.31 0.84 -7.43 2 5 0 78 204.233 2 ↓
Lo Low (pH 4.5-6) 1.31 1.3 -37.62 3 5 1 79 205.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine 5-(3-ethyl-1,2,4-oxadiazol-5-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) 0.83 0.38 -7.54 2 5 0 78 190.206 2 ↓
Lo Low (pH 4.5-6) 0.83 0.84 -37.83 3 5 1 79 191.214 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine 5-(3-methyl-1,2,4-oxadiazol-5-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) 0.26 -0.23 -7.9 2 5 0 78 176.179 1 ↓
Lo Low (pH 4.5-6) 0.26 0.23 -38.06 3 5 1 79 177.187 1 ↓

Analogs

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Popular Name: 5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine 5-(3-tert-butyl-1,2,4-oxadiazol-…

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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) 1.98 1.39 -7.45 2 5 0 78 218.26 2 ↓
Lo Low (pH 4.5-6) 1.98 1.85 -37.7 3 5 1 79 219.268 2 ↓

Analogs

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Popular Name: 5-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine 5-(3-propyl-1,2,4-oxadiazol-5-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) 1.33 1.15 -7.21 2 5 0 78 204.233 3 ↓
Lo Low (pH 4.5-6) 1.33 1.61 -37.68 3 5 1 79 205.241 3 ↓

Analogs

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Popular Name: 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 5-[3-(2,2,2-trifluoroethyl)-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) 1.38 0.67 -8.65 2 5 0 78 244.176 3 ↓
Lo Low (pH 4.5-6) 1.38 1.13 -39.93 3 5 1 79 245.184 3 ↓

Analogs

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Popular Name: 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 5-[3-(2-methoxyethyl)-1,2,4-oxad…

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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) 0.44 -0.55 -7.36 2 6 0 87 220.232 4 ↓
Lo Low (pH 4.5-6) 0.44 -0.09 -38.6 3 6 1 88 221.24 4 ↓

Analogs

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Popular Name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 5-[3-(methoxymethyl)-1,2,4-oxadi…

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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) 0.23 -1.25 -8.92 2 6 0 87 206.205 3 ↓
Lo Low (pH 4.5-6) 0.23 -0.79 -39.21 3 6 1 88 207.213 3 ↓

Analogs

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Popular Name: 5-(3-isopentyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine 5-(3-isopentyl-1,2,4-oxadiazol-5…

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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) 2.11 2.45 -7.07 2 5 0 78 232.287 4 ↓
Lo Low (pH 4.5-6) 2.11 2.91 -37.71 3 5 1 79 233.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 5-[3-(propoxymethyl)-1,2,4-oxadi…

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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 0.51 -8.63 2 6 0 87 234.259 5 ↓
Lo Low (pH 4.5-6) 1.11 0.97 -38.94 3 6 1 88 235.267 5 ↓

Analogs

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Popular Name: 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 5-[3-(methylsulfonylmethyl)-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 -2.86 -20.74 2 7 0 112 254.271 3 ↓
Lo Low (pH 4.5-6) -0.36 -2.4 -49.31 3 7 1 113 255.279 3 ↓

Analogs

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Popular Name: 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 5-[3-(methylsulfanylmethyl)-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) 0.77 0.81 -8.74 2 5 0 78 222.273 3 ↓
Lo Low (pH 4.5-6) 0.77 1.27 -38.89 3 5 1 79 223.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: {[5-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]thio}acetic acid {[5-(3-propyl-1,2,4-oxadiazol-5-…

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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) 1.89 5.25 -44.16 0 6 -1 92 278.313 6 ↓

Analogs

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Popular Name: 2-hydrazino-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine 2-hydrazino-5-[3-(2-methoxyethyl…

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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) 0.39 0.22 -8.93 3 7 0 99 235.247 5 ↓
Lo Low (pH 4.5-6) 0.39 0.69 -36.79 4 7 1 100 236.255 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-(6-hydrazino-3-pyridyl)-1,2,4-oxadiazole 3-ethyl-5-(6-hydrazino-3-pyridyl…

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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 1.16 -9.12 3 6 0 90 205.221 3 ↓
Lo Low (pH 4.5-6) 0.78 1.62 -35.86 4 6 1 91 206.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(tert-butyl)-5-(6-hydrazino-3-pyridyl)-1,2,4-oxadiazole 3-(tert-butyl)-5-(6-hydrazino-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) 1.94 2.16 -9.03 3 6 0 90 233.275 3 ↓
Lo Low (pH 4.5-6) 1.94 2.64 -35.62 4 6 1 91 234.283 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 26446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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