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

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Popular Name: N-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-ethane-1,2-diamine N-[[3-(2-furyl)-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) -0.20 1.25 -127.1 4 6 2 84 224.264 5 ↓
Mid Mid (pH 6-8) -0.20 -1.1 -52.88 3 6 1 83 223.256 5 ↓

Analogs

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Popular Name: 5-(3-chloropropyl)-3-(2-furyl)-1,2,4-oxadiazole 5-(3-chloropropyl)-3-(2-furyl)-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) 2.24 3.8 -11.06 0 4 0 52 212.636 4 ↓

Analogs

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Popular Name: 5-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(2-furyl)-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) 1.22 2.12 -50.3 3 5 1 80 222.268 6 ↓

Analogs

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Popular Name: 3-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-methyl-propan-1-amine 3-[3-(2-furyl)-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) 1.42 2.43 -48.19 2 5 1 69 208.241 5 ↓

Analogs

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Popular Name: 6-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine 6-[3-(2-furyl)-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) 1.72 2.9 -49.67 3 5 1 80 236.295 7 ↓

Analogs

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

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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) -1.65 -1.97 -71.13 3 7 1 114 272.306 5 ↓
Hi High (pH 8-9.5) -1.65 -2.27 -19.86 2 7 0 112 271.298 5 ↓

Analogs

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

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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) -1.65 -1.97 -71.16 3 7 1 114 272.306 5 ↓
Hi High (pH 8-9.5) -1.65 -2.31 -22.27 2 7 0 112 271.298 5 ↓

Analogs

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

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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) -0.53 1.69 -54.83 3 5 1 80 240.308 5 ↓
Hi High (pH 8-9.5) -0.53 1.4 -9.22 2 5 0 78 239.3 5 ↓

Analogs

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

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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) -0.53 1.69 -54.77 3 5 1 80 240.308 5 ↓
Hi High (pH 8-9.5) -0.53 1.36 -10.51 2 5 0 78 239.3 5 ↓

Analogs

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Popular Name: (1S,2S)-1-amino-1-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2S)-1-amino-1-[3-(2-furyl)-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) -1.59 -2.84 -54.06 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.59 -3.16 -11.64 3 6 0 98 209.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-amino-1-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2R)-1-amino-1-[3-(2-furyl)-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) -1.59 -2.4 -54.39 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.59 -2.72 -11.68 3 6 0 98 209.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-amino-1-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2S)-1-amino-1-[3-(2-furyl)-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) -1.59 -2.49 -54.29 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.59 -2.78 -10.02 3 6 0 98 209.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-amino-1-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2R)-1-amino-1-[3-(2-furyl)-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) -1.59 -2.84 -54.01 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.59 -3.11 -10 3 6 0 98 209.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]ethanol (2R)-2-amino-2-[3-(2-furyl)-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) -1.96 -3.62 -46.7 4 6 1 100 196.186 3 ↓
Mid Mid (pH 6-8) -1.96 -3.95 -9.37 3 6 0 98 195.178 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]ethanol (2S)-2-amino-2-[3-(2-furyl)-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) -1.96 -3.62 -46.71 4 6 1 100 196.186 3 ↓
Mid Mid (pH 6-8) -1.96 -4.01 -9.34 3 6 0 98 195.178 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.57 0.45 -46.59 3 5 1 80 194.214 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.57 0.65 -44.31 3 5 1 80 194.214 3 ↓

Analogs

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

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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 1.46 -49.44 3 5 1 80 222.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1.45 -49.41 3 5 1 80 222.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.62 2.02 -51.09 3 5 1 80 222.268 5 ↓
Hi High (pH 8-9.5) 0.62 1.69 -8.87 2 5 0 78 221.26 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.62 2.02 -51.06 3 5 1 80 222.268 5 ↓
Hi High (pH 8-9.5) 0.62 1.73 -7.7 2 5 0 78 221.26 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.44 1.67 -45.5 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 2.44 1.45 -7.32 2 5 0 78 221.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.44 1.67 -45.44 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 2.44 1.37 -9.17 2 5 0 78 221.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.12 1.23 -50.56 3 5 1 80 208.241 4 ↓
Hi High (pH 8-9.5) 0.12 0.9 -8.92 2 5 0 78 207.233 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.12 1.23 -50.54 3 5 1 80 208.241 4 ↓
Hi High (pH 8-9.5) 0.12 0.95 -7.76 2 5 0 78 207.233 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine N-[[3-(2-furyl)-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) 1.42 2.29 -44.14 2 5 1 69 208.241 4 ↓
Hi High (pH 8-9.5) 1.42 1.06 -8.83 1 5 0 64 207.233 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.83 3.04 -47.46 2 5 1 69 222.268 5 ↓

Analogs

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Popular Name: 3-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-isopropyl-propan-1-amine 3-[3-(2-furyl)-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) 2.10 3.82 -46.59 2 5 1 69 236.295 6 ↓

Analogs

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

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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) 2.34 3.46 -46.25 2 5 1 69 236.295 5 ↓

Analogs

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Popular Name: (2R)-N-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2R)-N-[[3-(2-furyl)-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) 1.96 3.08 -43.55 2 5 1 69 222.268 5 ↓
Hi High (pH 8-9.5) 1.96 2.03 -8.65 1 5 0 64 221.26 5 ↓

Analogs

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Popular Name: (2S)-N-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2S)-N-[[3-(2-furyl)-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) 1.96 3.09 -43.67 2 5 1 69 222.268 5 ↓
Hi High (pH 8-9.5) 1.96 1.87 -8.6 1 5 0 64 221.26 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 2.5 -48.65 2 5 1 69 208.241 5 ↓

Analogs

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Popular Name: 4-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-2-amine 4-[3-(2-furyl)-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) 1.86 1.51 -49.07 3 5 1 80 222.268 4 ↓

Analogs

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

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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) 0.50 0.41 -54.63 3 5 1 80 194.214 3 ↓

Analogs

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

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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) 0.50 0.41 -54.66 3 5 1 80 194.214 3 ↓

Analogs

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

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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) -1.07 -0.47 -52.86 3 6 1 89 224.24 5 ↓
Hi High (pH 8-9.5) -1.07 -0.77 -9.2 2 6 0 87 223.232 5 ↓

Analogs

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

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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) -1.07 -0.47 -52.83 3 6 1 89 224.24 5 ↓
Hi High (pH 8-9.5) -1.07 -0.8 -10.38 2 6 0 87 223.232 5 ↓

Analogs

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Popular Name: (3R)-3-amino-3-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (3R)-3-amino-3-[3-(2-furyl)-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) -1.68 -2.87 -53.61 4 6 1 100 210.213 4 ↓
Hi High (pH 8-9.5) -1.68 -3.2 -11.53 3 6 0 98 209.205 4 ↓

Analogs

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Popular Name: (3S)-3-amino-3-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (3S)-3-amino-3-[3-(2-furyl)-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) -1.68 -2.87 -53.58 4 6 1 100 210.213 4 ↓
Hi High (pH 8-9.5) -1.68 -3.17 -10.08 3 6 0 98 209.205 4 ↓

Analogs

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Popular Name: 2-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]propan-2-amine 2-[3-(2-furyl)-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) 1.38 0.17 -46.26 3 5 1 80 194.214 2 ↓
Hi High (pH 8-9.5) 1.38 -0.08 -9.51 2 5 0 78 193.206 2 ↓

Analogs

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

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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) 1.81 2.19 -43.8 2 5 1 69 208.241 4 ↓
Hi High (pH 8-9.5) 1.81 1.12 -7.64 1 5 0 64 207.233 4 ↓

Analogs

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

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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) 1.81 2.19 -43.76 2 5 1 69 208.241 4 ↓
Hi High (pH 8-9.5) 1.81 0.92 -9.38 1 5 0 64 207.233 4 ↓

Analogs

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Popular Name: 2-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-methyl-ethanamine 2-[3-(2-furyl)-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) 1.15 1.65 -49.76 2 5 1 69 194.214 4 ↓

Analogs

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Popular Name: (2R)-2-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethyl-butanoic (2R)-2-[[3-(2-furyl)-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) 2.35 5.7 -51.37 0 6 -1 92 263.273 5 ↓

Analogs

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Popular Name: (2S)-2-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethyl-butanoic (2S)-2-[[3-(2-furyl)-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) 2.35 5.09 -57.84 0 6 -1 92 263.273 5 ↓

Analogs

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Popular Name: 2-ethyl-2-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic 2-ethyl-2-[[3-(2-furyl)-1,2,4-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 5.36 -56.62 0 6 -1 92 263.273 6 ↓

Analogs

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Popular Name: 5-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]pentanoic 5-[3-(2-furyl)-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) 1.66 4.67 -49.14 0 6 -1 92 235.219 6 ↓
Lo Low (pH 4.5-6) 1.66 2.69 -13.16 1 6 0 89 236.227 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic 2-[[3-(2-furyl)-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) 0.39 2.3 -52.61 0 7 -1 101 223.164 5 ↓

Analogs

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

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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) 2.76 3.73 -7.68 0 4 0 52 257.087 3 ↓

Analogs

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

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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) 2.76 3.73 -7.69 0 4 0 52 257.087 3 ↓

Parameters Provided:

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