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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine 1-{[3-(1-ethoxyethyl)-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) -0.17 -0.37 -46.44 2 6 1 68 241.315 5 ↓
Hi High (pH 8-9.5) -0.17 -1.71 -7.97 1 6 0 63 240.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-{[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine 1-{[3-(1-ethoxyethyl)-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) -0.17 -0.37 -46.14 2 6 1 68 241.315 5 ↓
Hi High (pH 8-9.5) -0.17 -1.71 -8.27 1 6 0 63 240.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3-isopentyl-1,2,4-oxadiazole 5-[[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) 2.13 3.08 -8.9 0 5 0 45 302.369 7 ↓
Mid Mid (pH 6-8) 2.13 5.37 -42.77 1 5 1 47 303.377 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.90 1.13 -9.18 1 8 0 84 389.447 8 ↓
Mid Mid (pH 6-8) 1.90 3.41 -46.5 2 8 1 85 390.455 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole 5-[[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) 1.36 1.78 -9.07 0 5 0 45 274.315 6 ↓
Mid Mid (pH 6-8) 1.36 4.07 -42.67 1 5 1 47 275.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 0.66 -8.54 0 5 0 45 260.288 4 ↓
Mid Mid (pH 6-8) 0.84 2.83 -38.09 1 5 1 47 261.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 0.6 -9.74 0 5 0 45 260.288 4 ↓
Mid Mid (pH 6-8) 0.84 2.83 -39.59 1 5 1 47 261.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3-isobutyl-1,2,4-oxadiazole 5-[[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) 1.60 2.36 -8.87 0 5 0 45 288.342 6 ↓
Mid Mid (pH 6-8) 1.60 4.53 -42.44 1 5 1 47 289.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1.28 -8.23 0 5 0 45 274.315 5 ↓
Mid Mid (pH 6-8) 1.42 3.45 -37.92 1 5 1 47 275.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1.22 -9.51 0 5 0 45 274.315 5 ↓
Mid Mid (pH 6-8) 1.42 3.45 -39.34 1 5 1 47 275.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-butyl-5-[(1R)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole 3-butyl-5-[(1R)-1-[4-(3,3-dimeth…

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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) 3.88 7.07 -40.99 1 5 1 47 323.505 8 ↓
Hi High (pH 8-9.5) 3.88 4.81 -5.57 0 5 0 45 322.497 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-butyl-5-[(1S)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole 3-butyl-5-[(1S)-1-[4-(3,3-dimeth…

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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) 3.88 7.08 -40.44 1 5 1 47 323.505 8 ↓
Hi High (pH 8-9.5) 3.88 4.8 -5.52 0 5 0 45 322.497 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 5-[[(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) -0.31 0.2 -40.78 2 5 1 59 197.262 2 ↓
Hi High (pH 8-9.5) -0.31 -1.13 -6.32 1 5 0 54 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 5-[[(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) -0.31 0.26 -43.93 2 5 1 59 197.262 2 ↓
Hi High (pH 8-9.5) -0.31 -1.09 -5.91 1 5 0 54 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 5-[[(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) -0.31 0.52 -43.76 2 5 1 59 197.262 2 ↓
Hi High (pH 8-9.5) -0.31 -0.65 -5.74 1 5 0 54 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole 5-[[(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 0.21 -41.12 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -0.22 -1.14 -6.76 1 5 0 54 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole 5-[[(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 0.13 -44.29 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -0.22 -1.04 -6.13 1 5 0 54 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole 5-[[(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 0.31 -44.33 2 5 1 59 211.289 2 ↓
Hi High (pH 8-9.5) -0.22 -0.86 -6.14 1 5 0 54 210.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[3-(1-amino-1-methyl-ethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol 2-[4-[[3-(1-amino-1-methyl-ethyl…

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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) -0.71 -4.91 -43.95 4 7 1 93 270.357 5 ↓
Hi High (pH 8-9.5) -0.71 -5.15 -8.84 3 7 0 92 269.349 5 ↓
Mid Mid (pH 6-8) -0.71 -2.63 -102.12 5 7 2 94 271.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-isopropyl-1,2,4-oxadiazole 5-[[(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 1.14 -40.6 2 5 1 59 239.343 3 ↓
Hi High (pH 8-9.5) 0.84 -0.19 -6.49 1 5 0 54 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-isopropyl-1,2,4-oxadiazole 5-[[(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 1.18 -43.83 2 5 1 59 239.343 3 ↓
Hi High (pH 8-9.5) 0.84 0.01 -5.77 1 5 0 54 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-isopropyl-1,2,4-oxadiazole 5-[[(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 1.34 -43.73 2 5 1 59 239.343 3 ↓
Hi High (pH 8-9.5) 0.84 0.02 -5.89 1 5 0 54 238.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 2.38 -40.66 2 5 1 59 253.37 5 ↓
Hi High (pH 8-9.5) 1.41 1.03 -6.19 1 5 0 54 252.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 2.3 -43.71 2 5 1 59 253.37 5 ↓
Hi High (pH 8-9.5) 1.41 1.13 -5.54 1 5 0 54 252.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 2.56 -43.62 2 5 1 59 253.37 5 ↓
Hi High (pH 8-9.5) 1.41 1.22 -5.63 1 5 0 54 252.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole 5-[[(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 1.59 -40.69 2 5 1 59 239.343 4 ↓
Hi High (pH 8-9.5) 0.85 0.25 -6.23 1 5 0 54 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole 5-[[(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 1.52 -43.75 2 5 1 59 239.343 4 ↓
Hi High (pH 8-9.5) 0.85 0.35 -5.59 1 5 0 54 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole 5-[[(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 1.78 -43.69 2 5 1 59 239.343 4 ↓
Hi High (pH 8-9.5) 0.85 0.44 -5.66 1 5 0 54 238.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[[(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 1.7 -40.43 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 1.50 0.37 -6.53 1 5 0 54 252.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[[(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 1.73 -43.75 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 1.50 0.56 -5.77 1 5 0 54 252.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[[(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 2.01 -43.71 2 5 1 59 253.37 3 ↓
Hi High (pH 8-9.5) 1.50 0.85 -5.73 1 5 0 54 252.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-isobutyl-1,2,4-oxadiazole 5-[[(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 1.92 -40.46 2 5 1 59 253.37 4 ↓
Hi High (pH 8-9.5) 1.10 0.59 -6.07 1 5 0 54 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-isobutyl-1,2,4-oxadiazole 5-[[(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 1.96 -43.56 2 5 1 59 253.37 4 ↓
Hi High (pH 8-9.5) 1.10 0.79 -5.48 1 5 0 54 252.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-isobutyl-1,2,4-oxadiazole 5-[[(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 2.12 -43.52 2 5 1 59 253.37 4 ↓
Hi High (pH 8-9.5) 1.10 0.8 -5.61 1 5 0 54 252.362 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-(4-butylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole 5-[(1S)-1-(4-butylpiperazin-1-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) 1.71 4.02 -40.04 1 5 1 47 253.37 5 ↓
Hi High (pH 8-9.5) 1.71 1.74 -6.35 0 5 0 45 252.362 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-(4-butylpiperazin-1-yl)ethyl]-3-methyl-1,2,4-oxadiazole 5-[(1R)-1-(4-butylpiperazin-1-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) 1.71 4.01 -40.47 1 5 1 47 253.37 5 ↓
Hi High (pH 8-9.5) 1.71 1.75 -6.47 0 5 0 45 252.362 5 ↓

Analogs

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

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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) 0.95 3 -37.25 1 5 1 47 239.343 3 ↓
Hi High (pH 8-9.5) 0.95 0.8 -6.47 0 5 0 45 238.335 3 ↓

Analogs

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

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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) 0.95 3.01 -37.28 1 5 1 47 239.343 3 ↓
Hi High (pH 8-9.5) 0.95 0.79 -6.51 0 5 0 45 238.335 3 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propane-1-sulfonamide N,N-dimethyl-3-[4-[(1R)-1-(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) -0.05 1.31 -55.21 1 8 1 84 346.477 7 ↓
Mid Mid (pH 6-8) -0.05 1.27 -47.81 1 8 1 84 346.477 7 ↓
Mid Mid (pH 6-8) -0.05 -1 -16.33 0 8 0 83 345.469 7 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propane-1-sulfonamide N,N-dimethyl-3-[4-[(1S)-1-(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) -0.05 1.33 -53.73 1 8 1 84 346.477 7 ↓
Mid Mid (pH 6-8) -0.05 -1.01 -15.24 0 8 0 83 345.469 7 ↓
Mid Mid (pH 6-8) -0.05 1.27 -46.71 1 8 1 84 346.477 7 ↓

Analogs

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Popular Name: 3-isopropyl-5-[(1R)-1-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1R)-1-[4-(3-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) 1.00 1.86 -55.62 1 7 1 81 345.489 7 ↓
Mid Mid (pH 6-8) 1.00 1.83 -48.67 1 7 1 81 345.489 7 ↓
Mid Mid (pH 6-8) 1.00 -0.39 -18.12 0 7 0 80 344.481 7 ↓

Analogs

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Popular Name: 3-isopropyl-5-[(1S)-1-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1S)-1-[4-(3-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) 1.00 1.88 -53.93 1 7 1 81 345.489 7 ↓
Mid Mid (pH 6-8) 1.00 1.83 -47.44 1 7 1 81 345.489 7 ↓
Mid Mid (pH 6-8) 1.00 -0.4 -16.88 0 7 0 80 344.481 7 ↓

Analogs

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Popular Name: 1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-methoxy-ethanone 1-[4-[(3-ethyl-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) -0.41 1.48 -16.65 0 7 0 72 268.317 5 ↓
Mid Mid (pH 6-8) -0.41 3.74 -56.95 1 7 1 73 269.325 5 ↓

Analogs

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

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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 1.42 -55.86 1 7 1 81 331.462 7 ↓
Mid Mid (pH 6-8) 0.52 -0.84 -18.23 0 7 0 80 330.454 7 ↓
Mid Mid (pH 6-8) 0.52 1.38 -48.89 1 7 1 81 331.462 7 ↓

Analogs

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

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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 1.43 -54.13 1 7 1 81 331.462 7 ↓
Mid Mid (pH 6-8) 0.52 1.38 -47.52 1 7 1 81 331.462 7 ↓
Mid Mid (pH 6-8) 0.52 -0.85 -16.97 0 7 0 80 330.454 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide N-(2-methoxyethyl)-2-[4-[(1R)-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) 0.94 -0.68 -13.55 1 8 0 84 339.44 9 ↓
Mid Mid (pH 6-8) 0.94 1.55 -42.46 2 8 1 85 340.448 9 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide N-(2-methoxyethyl)-2-[4-[(1S)-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) 0.94 -0.69 -10.84 1 8 0 84 339.44 9 ↓
Mid Mid (pH 6-8) 0.94 1.55 -39.39 2 8 1 85 340.448 9 ↓

Analogs

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

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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) 1.13 1.41 -85.51 4 6 2 74 283.42 5 ↓
Hi High (pH 8-9.5) 1.13 -0.49 -41.15 3 6 1 73 282.412 5 ↓

Analogs

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

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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) 1.13 1.67 -88.44 4 6 2 74 283.42 5 ↓
Hi High (pH 8-9.5) 1.13 -0.19 -41.54 3 6 1 73 282.412 5 ↓

Analogs

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Popular Name: 2-[5-[(4-isobutylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(4-isobutylpiperazin-1-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) 1.04 2.01 -90.07 4 6 2 74 283.42 5 ↓
Hi High (pH 8-9.5) 1.04 0.06 -41.87 3 6 1 73 282.412 5 ↓

Parameters Provided:

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