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Analogs

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Popular Name: 2-(chloromethyl)-5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole 2-(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) 1.04 -1.13 -11.95 0 5 0 61 225.635 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-chloroethyl]-5-(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 -0.42 -11.88 0 5 0 61 239.662 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-chloroethyl]-5-(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 -0.42 -11.86 0 5 0 61 239.662 3 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole 2-(2-chloroethyl)-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) 1.25 -0.33 -10.96 0 5 0 61 239.662 4 ↓

Analogs

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Popular Name: 2-(3-chloropropyl)-5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole 2-(3-chloropropyl)-5-(2-methoxy-…

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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 0.44 -13.46 0 5 0 61 253.689 5 ↓

Analogs

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Popular Name: 5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-amine 5-(2-methoxy-3-pyridyl)-1,3,4-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) 0.52 -4.33 -12.43 2 6 0 87 192.178 2 ↓

Analogs

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Popular Name: 5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole-2-thiol 5-(2-methoxy-3-pyridyl)-1,3,4-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) 1.43 -1.93 -45.23 0 5 -1 61 208.222 2 ↓
Lo Low (pH 4.5-6) 0.71 -1.37 -10.01 1 5 0 64 209.23 2 ↓

Analogs

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

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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) 0.88 -0.54 -46.41 0 7 -1 101 266.258 5 ↓

Analogs

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

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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) 0.16 -0.26 -48.16 0 7 -1 101 248.218 5 ↓

Analogs

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

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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) 0.44 0.52 -53.79 0 7 -1 101 262.245 6 ↓
Lo Low (pH 4.5-6) 0.44 -1.45 -18.35 1 7 0 98 263.253 6 ↓

Analogs

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

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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) 0.94 1.3 -51.84 0 7 -1 101 276.272 7 ↓
Lo Low (pH 4.5-6) 0.94 -0.67 -15.67 1 7 0 98 277.28 7 ↓

Analogs

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

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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) -0.33 -1.06 -55.61 0 8 -1 110 264.217 6 ↓

Analogs

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Popular Name: [5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-yl]methanamine [5-(2-methoxy-3-pyridyl)-1,3,4-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) -0.35 -4.34 -54.46 3 6 1 89 207.213 3 ↓
Hi High (pH 8-9.5) -0.35 -4.74 -12.72 2 6 0 87 206.205 3 ↓

Analogs

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

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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) -0.28 -2.81 -55.22 3 6 1 89 235.267 5 ↓

Analogs

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

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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) -0.55 -3.59 -56.74 3 6 1 89 221.24 4 ↓

Analogs

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Popular Name: (1S)-1-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-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) -1.66 -3.65 -49.79 3 6 1 89 221.24 3 ↓
Hi High (pH 8-9.5) -1.66 -3.98 -11.79 2 6 0 87 220.232 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-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) -1.66 -3.65 -49.89 3 6 1 89 221.24 3 ↓
Hi High (pH 8-9.5) -1.66 -4.06 -12.49 2 6 0 87 220.232 3 ↓

Analogs

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

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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) 0.03 -2.47 -48.38 2 6 1 78 221.24 4 ↓
Hi High (pH 8-9.5) 0.03 -3.91 -11.92 1 6 0 73 220.232 4 ↓

Analogs

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

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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) 0.40 -1.61 -47.46 2 6 1 78 235.267 5 ↓
Hi High (pH 8-9.5) 0.40 -2.97 -11.73 1 6 0 73 234.259 5 ↓

Analogs

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

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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) 0.91 -0.86 -48.18 2 6 1 78 249.294 6 ↓
Hi High (pH 8-9.5) 0.91 -2.21 -11.59 1 6 0 73 248.286 6 ↓

Analogs

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

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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) 0.70 -1.08 -45.5 2 6 1 78 249.294 5 ↓
Hi High (pH 8-9.5) 0.70 -2.3 -11.66 1 6 0 73 248.286 5 ↓

Analogs

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

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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) 1.21 -0.65 -42.8 2 6 1 78 263.321 5 ↓
Hi High (pH 8-9.5) 1.21 -1.89 -11.29 1 6 0 73 262.313 5 ↓

Analogs

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

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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) 0.70 -0.93 -50.36 2 6 1 78 249.294 6 ↓

Analogs

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

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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) 0.73 -0.08 -49.82 2 6 1 78 263.321 7 ↓

Analogs

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

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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) 1.23 0.67 -50.8 2 6 1 78 277.348 8 ↓

Analogs

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

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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 0.45 -48.72 2 6 1 78 277.348 7 ↓

Analogs

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Popular Name: N-[3-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methyl-propan-2-amine N-[3-[5-(2-methoxy-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) 1.89 0.88 -47.27 2 6 1 78 291.375 7 ↓

Analogs

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Popular Name: (1S)-1-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-yl]-N-methyl-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) 0.59 -1.97 -44.25 2 6 1 78 235.267 4 ↓
Hi High (pH 8-9.5) 0.59 -3.29 -11.07 1 6 0 73 234.259 4 ↓

Analogs

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Popular Name: (1R)-1-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-yl]-N-methyl-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) 0.59 -1.98 -44.36 2 6 1 78 235.267 4 ↓
Hi High (pH 8-9.5) 0.59 -3.25 -11.83 1 6 0 73 234.259 4 ↓

Analogs

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

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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) 0.96 -1.13 -43.03 2 6 1 78 249.294 5 ↓
Hi High (pH 8-9.5) 0.96 -2.31 -11.69 1 6 0 73 248.286 5 ↓

Analogs

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

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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) 0.96 -1.13 -43.15 2 6 1 78 249.294 5 ↓
Hi High (pH 8-9.5) 0.96 -2.36 -10.92 1 6 0 73 248.286 5 ↓

Analogs

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

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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) 1.47 -0.37 -43.64 2 6 1 78 263.321 6 ↓
Hi High (pH 8-9.5) 1.47 -1.55 -11.56 1 6 0 73 262.313 6 ↓

Analogs

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

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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) 1.47 -0.37 -43.64 2 6 1 78 263.321 6 ↓
Hi High (pH 8-9.5) 1.47 -1.61 -10.74 1 6 0 73 262.313 6 ↓

Analogs

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

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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) 0.43 -1.71 -51.59 2 6 1 78 235.267 5 ↓

Analogs

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

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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) 0.46 -0.86 -50.45 2 6 1 78 249.294 6 ↓

Analogs

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Popular Name: N-[2-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[2-[5-(2-methoxy-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) 0.96 -0.11 -51.54 2 6 1 78 263.321 7 ↓

Analogs

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Popular Name: N-[2-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine N-[2-[5-(2-methoxy-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) 1.11 -0.34 -49.18 2 6 1 78 263.321 6 ↓

Analogs

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Popular Name: N-[2-[5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methyl-propan-2-amine N-[2-[5-(2-methoxy-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) 1.62 0.1 -47.98 2 6 1 78 277.348 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(3-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(3-pyri…

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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) 1.86 1.49 -7.36 0 4 0 52 268.114 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(3-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(3-pyri…

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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) 1.86 1.48 -7.38 0 4 0 52 268.114 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(6-methyl-3-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(6-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 2.1 -7.23 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 1.92 2.53 -35.85 1 4 1 53 283.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(6-methyl-3-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(6-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 2.1 -7.24 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 1.92 2.52 -35.8 1 4 1 53 283.149 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(5-bromo-3-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(5-brom…

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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) 2.82 2.1 -5.76 0 4 0 52 347.01 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-bromo-3-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-brom…

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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) 2.82 2.1 -5.75 0 4 0 52 347.01 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 0.4 -10.91 0 5 0 61 298.14 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(2-methoxy-3-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 0.4 -10.9 0 5 0 61 298.14 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(2,6-dimethyl-3-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2,6-di…

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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 3.32 -7.67 0 4 0 52 296.168 3 ↓
Lo Low (pH 4.5-6) 2.14 3.7 -33.45 1 4 1 53 297.176 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(2,6-dimethyl-3-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(2,6-di…

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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 3.32 -7.66 0 4 0 52 296.168 3 ↓
Lo Low (pH 4.5-6) 2.14 3.69 -33.45 1 4 1 53 297.176 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-bromo-3-pyridyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-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) -0.39 -1.15 -46.27 3 5 1 79 284.137 3 ↓
Hi High (pH 8-9.5) -0.39 -1.51 -6.03 2 5 0 78 283.129 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-bromo-3-pyridyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-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) -0.39 -1.15 -46.29 3 5 1 79 284.137 3 ↓
Hi High (pH 8-9.5) -0.39 -1.48 -4.98 2 5 0 78 283.129 3 ↓

Parameters Provided:

ring.id = 26231
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 = 26231 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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