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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide N,N-diethyl-3-[3-[(4-ethylsulfon…

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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 2.08 -16.91 0 9 0 100 387.506 9 ↓
Mid Mid (pH 6-8) 0.03 4.32 -54.27 1 9 1 101 388.514 9 ↓

Analogs

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Popular Name: 2-[4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-isopropyl-acetamide 2-[4-[(5-butyl-1,2,4-oxadiazol-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) 1.63 3.75 -37.98 2 7 1 76 324.449 8 ↓
Mid Mid (pH 6-8) 1.63 1.49 -11.16 1 7 0 74 323.441 8 ↓

Analogs

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Popular Name: 3-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[4-(2,2-difluoroethyl)piperaz…

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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 0.13 -10.06 0 5 0 45 246.261 4 ↓
Mid Mid (pH 6-8) 0.28 2.37 -37.69 1 5 1 47 247.269 4 ↓

Analogs

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Popular Name: 3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole 3-[[(2S,6R)-2,6-dimethylpiperazi…

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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 0.52 -40.07 2 5 1 59 225.316 3 ↓
Hi High (pH 8-9.5) 0.35 -0.83 -6.36 1 5 0 54 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole 3-[[(2S,6S)-2,6-dimethylpiperazi…

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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 0.72 -42.4 2 5 1 59 225.316 3 ↓
Hi High (pH 8-9.5) 0.35 -0.45 -6.28 1 5 0 54 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole 3-[[(2R,6R)-2,6-dimethylpiperazi…

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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 0.8 -42.93 2 5 1 59 225.316 3 ↓
Hi High (pH 8-9.5) 0.35 -0.39 -6.34 1 5 0 54 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 3-[[(2S,6R)-2,6-dimethylpiperazi…

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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 -0.96 -41 2 5 1 59 197.262 2 ↓
Hi High (pH 8-9.5) -0.44 -2.3 -7.14 1 5 0 54 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 3-[[(2S,6S)-2,6-dimethylpiperazi…

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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 -0.61 -43.69 2 5 1 59 197.262 2 ↓
Hi High (pH 8-9.5) -0.44 -1.96 -7.44 1 5 0 54 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 3-[[(2R,6R)-2,6-dimethylpiperazi…

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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 -0.78 -43.24 2 5 1 59 197.262 2 ↓
Hi High (pH 8-9.5) -0.44 -1.95 -7.28 1 5 0 54 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(2S,6R)-2,6-dimethylpiperazi…

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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) -0.22 -0.23 -40.49 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -0.22 -1.58 -7.03 1 5 0 54 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(2S,6S)-2,6-dimethylpiperazi…

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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) -0.22 -0.04 -42.94 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -0.22 -1.21 -6.91 1 5 0 54 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(2R,6R)-2,6-dimethylpiperazi…

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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) -0.22 0.04 -43.48 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -0.22 -1.14 -7.02 1 5 0 54 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole 3-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 0.85 1.29 -39.81 2 5 1 59 239.343 4 ↓
Hi High (pH 8-9.5) 0.85 -0.06 -5.91 1 5 0 54 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole 3-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 0.85 1.49 -42.12 2 5 1 59 239.343 4 ↓
Hi High (pH 8-9.5) 0.85 0.32 -5.77 1 5 0 54 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole 3-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 0.85 1.56 -42.61 2 5 1 59 239.343 4 ↓
Hi High (pH 8-9.5) 0.85 0.38 -5.9 1 5 0 54 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-tert-butyl-3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 5-tert-butyl-3-[[(2S,6R)-2,6-dim…

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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) 1.50 1.68 -39.47 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 1.50 0.33 -6.03 1 5 0 54 252.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-tert-butyl-3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 5-tert-butyl-3-[[(2S,6S)-2,6-dim…

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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) 1.50 1.87 -42.25 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 1.50 0.7 -5.79 1 5 0 54 252.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-tert-butyl-3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 5-tert-butyl-3-[[(2R,6R)-2,6-dim…

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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) 1.50 1.85 -41.73 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 1.50 0.68 -5.85 1 5 0 54 252.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-isobutyl-1,2,4-oxadiazole 3-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 1.10 1.85 -39.27 2 5 1 59 253.37 4 ↓
Hi High (pH 8-9.5) 1.10 0.5 -6.14 1 5 0 54 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5-isobutyl-1,2,4-oxadiazole 3-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 1.10 2.05 -42.15 2 5 1 59 253.37 4 ↓
Hi High (pH 8-9.5) 1.10 0.87 -5.95 1 5 0 54 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-isobutyl-1,2,4-oxadiazole 3-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 1.10 2.02 -41.64 2 5 1 59 253.37 4 ↓
Hi High (pH 8-9.5) 1.10 0.85 -5.92 1 5 0 54 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-isopropyl-1,2,4-oxadiazole 3-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 0.84 1.16 -39.65 2 5 1 59 239.343 3 ↓
Hi High (pH 8-9.5) 0.84 -0.19 -6.21 1 5 0 54 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5-isopropyl-1,2,4-oxadiazole 3-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 0.84 1.49 -42.55 2 5 1 59 239.343 3 ↓
Hi High (pH 8-9.5) 0.84 0.16 -6.04 1 5 0 54 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-isopropyl-1,2,4-oxadiazole 3-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 0.84 1.33 -41.96 2 5 1 59 239.343 3 ↓
Hi High (pH 8-9.5) 0.84 0.16 -5.93 1 5 0 54 238.335 3 ↓

Analogs

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Popular Name: 2-(dimethylamino)-1-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone 2-(dimethylamino)-1-[4-[(5-propy…

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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) 0.14 3.41 -44.06 1 7 1 67 296.395 6 ↓
Hi High (pH 8-9.5) 0.14 1.03 -12.37 0 7 0 66 295.387 6 ↓
Lo Low (pH 4.5-6) 0.14 5.61 -99.46 2 7 2 68 297.403 6 ↓

Analogs

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Popular Name: 3-[[(3R)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(3R)-4-(2-ethoxyethyl)-3-eth…

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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 3.37 -35.39 1 6 1 56 283.396 7 ↓
Mid Mid (pH 6-8) 0.94 1.21 -8.32 0 6 0 55 282.388 7 ↓
Mid Mid (pH 6-8) 0.94 3.44 -34.27 1 6 1 56 283.396 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-4-(2-ethoxyethyl)-3-ethyl-piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(3S)-4-(2-ethoxyethyl)-3-eth…

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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 3.23 -35.03 1 6 1 56 283.396 7 ↓
Mid Mid (pH 6-8) 0.94 1.02 -7.89 0 6 0 55 282.388 7 ↓
Mid Mid (pH 6-8) 0.94 3.25 -35.37 1 6 1 56 283.396 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(3S)-4-(2-ethoxyethyl)-3-met…

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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 2.61 -34.96 1 6 1 56 269.369 6 ↓
Mid Mid (pH 6-8) 0.40 0.4 -8.11 0 6 0 55 268.361 6 ↓
Mid Mid (pH 6-8) 0.40 2.61 -35.55 1 6 1 56 269.369 6 ↓

Analogs

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Popular Name: 3-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(3R)-3-ethyl-4-(2-methoxyeth…

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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 2.39 -35.25 1 6 1 56 269.369 6 ↓
Mid Mid (pH 6-8) 0.56 0.24 -8.44 0 6 0 55 268.361 6 ↓
Mid Mid (pH 6-8) 0.56 2.46 -34.46 1 6 1 56 269.369 6 ↓

Analogs

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Popular Name: 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole 3-[[(3S)-3-ethyl-4-(2-methoxyeth…

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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 2.26 -34.99 1 6 1 56 269.369 6 ↓
Mid Mid (pH 6-8) 0.56 0.04 -8.08 0 6 0 55 268.361 6 ↓
Mid Mid (pH 6-8) 0.56 2.27 -35.51 1 6 1 56 269.369 6 ↓

Analogs

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Popular Name: (2R)-2-ethyl-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]hexan-1-one (2R)-2-ethyl-1-[4-[(5-ethyl-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) 2.80 5.13 -12.83 0 6 0 62 322.453 8 ↓
Lo Low (pH 4.5-6) 2.80 7.33 -47.84 1 6 1 64 323.461 8 ↓

Analogs

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Popular Name: (2S)-2-ethyl-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]hexan-1-one (2S)-2-ethyl-1-[4-[(5-ethyl-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) 2.80 4.82 -13.32 0 6 0 62 322.453 8 ↓
Lo Low (pH 4.5-6) 2.80 7.04 -48.33 1 6 1 64 323.461 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-methylpiperazin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole 3-[(4-methylpiperazin-1-yl)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) 0.79 2.85 -38.22 1 5 1 47 225.316 4 ↓
Hi High (pH 8-9.5) 0.79 0.49 -6.2 0 5 0 45 224.308 4 ↓

Analogs

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Popular Name: 3-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole 3-[[(3R)-3-ethyl-4-(2-methoxyeth…

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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 4.1 -35.07 1 6 1 56 297.423 8 ↓
Mid Mid (pH 6-8) 1.64 1.95 -7.18 0 6 0 55 296.415 8 ↓
Mid Mid (pH 6-8) 1.64 4.71 -34.27 1 6 1 56 297.423 8 ↓

Analogs

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Popular Name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dipropyl-piperazine-1-sulfonamide 4-[(5-methyl-1,2,4-oxadiazol-3-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.85 1.44 -12.82 0 8 0 83 345.469 8 ↓
Lo Low (pH 4.5-6) 0.85 3.61 -46.39 1 8 1 84 346.477 8 ↓

Analogs

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Popular Name: 3-[(4-isopentylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole 3-[(4-isopentylsulfonylpiperazin…

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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) 0.74 0.81 -14.44 0 7 0 80 316.427 6 ↓
Lo Low (pH 4.5-6) 0.74 3.01 -51.91 1 7 1 81 317.435 6 ↓

Analogs

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Popular Name: 5-(methylsulfanylmethyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-(pipe…

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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) -0.37 0.14 -43.88 2 5 1 59 229.329 4 ↓
Hi High (pH 8-9.5) -0.37 -1.2 -7.65 1 5 0 54 228.321 4 ↓

Analogs

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Popular Name: 5-(2-methylsulfanylethyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole 5-(2-methylsulfanylethyl)-3-(pip…

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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 0.94 -42.31 2 5 1 59 243.356 5 ↓
Hi High (pH 8-9.5) -0.16 -0.41 -6.09 1 5 0 54 242.348 5 ↓

Analogs

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Popular Name: 5-(methylsulfanylmethyl)-3-[(1S)-1-piperazin-1-ylethyl]-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-[(1S)…

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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 0.77 -43.29 2 5 1 59 243.356 4 ↓
Hi High (pH 8-9.5) 0.19 -0.59 -7.47 1 5 0 54 242.348 4 ↓

Analogs

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Popular Name: 5-(methylsulfanylmethyl)-3-[(1R)-1-piperazin-1-ylethyl]-1,2,4-oxadiazole 5-(methylsulfanylmethyl)-3-[(1R)…

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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 0.31 -42.9 2 5 1 59 243.356 4 ↓
Hi High (pH 8-9.5) 0.19 -1.05 -8.12 1 5 0 54 242.348 4 ↓

Analogs

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Popular Name: 5-isopropyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole 5-isopropyl-3-[(4-methylsulfonyl…

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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) 0.14 -0.6 -13.18 0 7 0 80 288.373 4 ↓
Mid Mid (pH 6-8) 0.14 1.62 -45.21 1 7 1 81 289.381 4 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazine dihydrochloride 1-[(5-ethyl-1,2,4-oxadiazol-3-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) -0.31 -0.29 -42.44 2 5 1 59 197.262 3 ↓
Hi High (pH 8-9.5) -0.31 -1.63 -6.76 1 5 0 54 196.254 3 ↓

Analogs

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Popular Name: 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoic 3-[4-[(5-ethyl-1,2,4-oxadiazol-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) -0.20 3.42 -49.13 1 7 0 87 268.317 6 ↓
Hi High (pH 8-9.5) -0.20 1.15 -48.05 0 7 -1 86 267.309 6 ↓

Analogs

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Popular Name: 5-isopropyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole 5-isopropyl-3-(piperazin-1-ylmet…

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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) 0.18 0.32 -42 2 5 1 59 211.289 3 ↓
Hi High (pH 8-9.5) 0.18 -1.02 -6.45 1 5 0 54 210.281 3 ↓

Analogs

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Popular Name: 2-[4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetic 2-[4-[(5-isopropyl-1,2,4-oxadiaz…

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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) -0.90 3.39 -33.39 1 7 0 87 268.317 5 ↓
Mid Mid (pH 6-8) -0.90 3.47 -53.44 1 7 0 87 268.317 5 ↓
Mid Mid (pH 6-8) -0.90 1.21 -46.99 0 7 -1 86 267.309 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoic 3-[4-[(5-isopropyl-1,2,4-oxadiaz…

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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) 0.29 4.03 -48.66 1 7 0 87 282.344 6 ↓
Hi High (pH 8-9.5) 0.29 1.76 -47.8 0 7 -1 86 281.336 6 ↓

Analogs

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Popular Name: 3-(piperazin-1-ylmethyl)-5-propyl-1,2,4-oxadiazole 3-(piperazin-1-ylmethyl)-5-propy…

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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 0.48 -42.13 2 5 1 59 211.289 4 ↓
Hi High (pH 8-9.5) 0.19 -0.86 -6.28 1 5 0 54 210.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetic 2-[4-[(5-propyl-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) -0.88 3.56 -33.55 1 7 0 87 268.317 6 ↓
Mid Mid (pH 6-8) -0.88 3.63 -53.78 1 7 0 87 268.317 6 ↓
Mid Mid (pH 6-8) -0.88 1.37 -46.83 0 7 -1 86 267.309 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoic 3-[4-[(5-propyl-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) 0.31 4.19 -48.76 1 7 0 87 282.344 7 ↓
Hi High (pH 8-9.5) 0.31 1.92 -47.57 0 7 -1 86 281.336 7 ↓

Parameters Provided:

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