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Analogs

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Popular Name: 5-[(1S)-1-chloroethyl]-3-(3-furyl)-1,2,4-oxadiazole 5-[(1S)-1-chloroethyl]-3-(3-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) 1.93 2.87 -8.52 0 4 0 52 198.609 2 ↓

Analogs

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Popular Name: 5-[(1R)-1-chloroethyl]-3-(3-furyl)-1,2,4-oxadiazole 5-[(1R)-1-chloroethyl]-3-(3-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) 1.93 2.87 -8.53 0 4 0 52 198.609 2 ↓

Analogs

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Popular Name: 5-(3-chloropropyl)-3-(3-furyl)-1,2,4-oxadiazole 5-(3-chloropropyl)-3-(3-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) 2.05 3.74 -10.69 0 4 0 52 212.636 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-bromopropyl]-3-(3-furyl)-1,2,4-oxadiazole 5-[(1S)-1-bromopropyl]-3-(3-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) 2.56 3.66 -7.66 0 4 0 52 257.087 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-bromopropyl]-3-(3-furyl)-1,2,4-oxadiazole 5-[(1R)-1-bromopropyl]-3-(3-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) 2.56 3.66 -7.64 0 4 0 52 257.087 3 ↓

Analogs

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Popular Name: 5-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(3-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) 1.02 2.06 -50.37 3 5 1 80 222.268 6 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-1-[3-(3-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) -0.64 0.41 -49.17 3 5 1 80 194.214 3 ↓
Hi High (pH 8-9.5) -0.64 0.08 -8.64 2 5 0 78 193.206 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-1-[3-(3-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) -0.64 0.41 -49.18 3 5 1 80 194.214 3 ↓
Hi High (pH 8-9.5) -0.64 0.11 -7.48 2 5 0 78 193.206 3 ↓

Analogs

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Popular Name: (2R)-N-[[3-(3-furyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2R)-N-[[3-(3-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) 1.76 3.03 -44.23 2 5 1 69 222.268 5 ↓
Hi High (pH 8-9.5) 1.76 1.98 -7.99 1 5 0 64 221.26 5 ↓

Analogs

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Popular Name: (2S)-N-[[3-(3-furyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2S)-N-[[3-(3-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) 1.76 3.03 -44.27 2 5 1 69 222.268 5 ↓
Hi High (pH 8-9.5) 1.76 1.82 -7.94 1 5 0 64 221.26 5 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-N-methyl-ethanamine (1S)-1-[3-(3-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) 1.11 1.31 -44.85 2 5 1 69 194.214 3 ↓
Hi High (pH 8-9.5) 1.11 -0 -7.88 1 5 0 64 193.206 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-N-methyl-ethanamine (1R)-1-[3-(3-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) 1.11 1.31 -44.88 2 5 1 69 194.214 3 ↓
Hi High (pH 8-9.5) 1.11 0.04 -8.92 1 5 0 64 193.206 3 ↓

Analogs

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Popular Name: (1S,2S)-1-amino-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2S)-1-amino-1-[3-(3-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) -1.79 -2.9 -51.94 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.79 -3.22 -11.48 3 6 0 98 209.205 3 ↓

Analogs

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Popular Name: (1S,2R)-1-amino-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2R)-1-amino-1-[3-(3-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) -1.79 -2.64 -48.87 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.79 -2.78 -11.34 3 6 0 98 209.205 3 ↓

Analogs

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Popular Name: (1R,2S)-1-amino-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2S)-1-amino-1-[3-(3-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) -1.79 -2.75 -48.44 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.79 -2.83 -9.69 3 6 0 98 209.205 3 ↓

Analogs

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Popular Name: (1R,2R)-1-amino-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2R)-1-amino-1-[3-(3-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) -1.79 -2.9 -51.96 4 6 1 100 210.213 3 ↓
Mid Mid (pH 6-8) -1.79 -3.18 -9.85 3 6 0 98 209.205 3 ↓

Analogs

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Popular Name: (1S,2R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1S,2R)-1-[3-(3-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) 0.11 1.63 -50.24 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 0.11 1.31 -8.61 2 5 0 78 221.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1S,2S)-1-[3-(3-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) 0.11 1.55 -50.71 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 0.11 1.24 -8.57 2 5 0 78 221.26 4 ↓

Analogs

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Popular Name: (1R,2R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1R,2R)-1-[3-(3-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) 0.11 1.55 -50.72 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 0.11 1.28 -7.29 2 5 0 78 221.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-2-methyl-butan-1-amine (1R,2S)-1-[3-(3-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) 0.11 1.66 -50.2 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 0.11 1.35 -7.31 2 5 0 78 221.26 4 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1S)-1-[3-(3-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) 0.42 1.95 -51.06 3 5 1 80 222.268 5 ↓
Hi High (pH 8-9.5) 0.42 1.62 -8.51 2 5 0 78 221.26 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1R)-1-[3-(3-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) 0.42 1.95 -51.04 3 5 1 80 222.268 5 ↓
Hi High (pH 8-9.5) 0.42 1.67 -7.35 2 5 0 78 221.26 5 ↓

Analogs

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Popular Name: N-[2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine N-[2-[3-(3-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) 1.63 2.97 -47.96 2 5 1 69 222.268 5 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]ethanamine (1S)-1-[3-(3-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) -1.14 -0.4 -50.76 3 5 1 80 180.187 2 ↓
Hi High (pH 8-9.5) -1.14 -0.72 -9.08 2 5 0 78 179.179 2 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]ethanamine (1R)-1-[3-(3-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) -1.14 -0.4 -50.75 3 5 1 80 180.187 2 ↓
Hi High (pH 8-9.5) -1.14 -0.72 -7.84 2 5 0 78 179.179 2 ↓

Analogs

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Popular Name: (2S)-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (2S)-2-[3-(3-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) 0.30 0.35 -54.82 3 5 1 80 194.214 3 ↓

Analogs

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Popular Name: (2R)-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (2R)-2-[3-(3-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) 0.30 0.35 -54.79 3 5 1 80 194.214 3 ↓

Analogs

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Popular Name: (2R)-2-amino-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]ethanol (2R)-2-amino-2-[3-(3-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) -2.15 -3.68 -46.61 4 6 1 100 196.186 3 ↓
Mid Mid (pH 6-8) -2.15 -4.07 -8.88 3 6 0 98 195.178 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]ethanol (2S)-2-amino-2-[3-(3-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) -2.15 -3.68 -46.6 4 6 1 100 196.186 3 ↓
Mid Mid (pH 6-8) -2.15 -4.01 -8.92 3 6 0 98 195.178 3 ↓

Analogs

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Popular Name: N-ethyl-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-2-amine N-ethyl-2-[3-(3-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) 1.93 2.63 -40.88 2 5 1 69 222.268 4 ↓
Hi High (pH 8-9.5) 1.93 1.4 -8.25 1 5 0 64 221.26 4 ↓

Analogs

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Popular Name: (2S)-4-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (2S)-4-[3-(3-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) 0.65 1.23 -53.99 3 5 1 80 208.241 4 ↓

Analogs

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Popular Name: (2R)-4-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (2R)-4-[3-(3-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) 0.65 1.22 -53.85 3 5 1 80 208.241 4 ↓

Analogs

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Popular Name: N-[[3-(3-furyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine N-[[3-(3-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) 1.43 2.46 -47.75 2 5 1 69 208.241 5 ↓
Hi High (pH 8-9.5) 1.43 1.1 -8.21 1 5 0 64 207.233 5 ↓

Analogs

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Popular Name: 2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-N-methyl-ethanamine 2-[3-(3-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) 0.96 1.6 -50.16 2 5 1 69 194.214 4 ↓

Analogs

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Popular Name: 1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-N-methyl-methanamine 1-[3-(3-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) 0.55 0.83 -47.7 2 5 1 69 180.187 3 ↓
Hi High (pH 8-9.5) 0.55 -0.61 -8.51 1 5 0 64 179.179 3 ↓

Analogs

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Popular Name: 2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(3-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) -0.02 -0.29 -55.35 3 5 1 80 180.187 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-1-[3-(3-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) -0.08 1.17 -50.52 3 5 1 80 208.241 4 ↓
Hi High (pH 8-9.5) -0.08 0.84 -8.51 2 5 0 78 207.233 4 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R)-1-[3-(3-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) -0.08 1.17 -50.52 3 5 1 80 208.241 4 ↓
Hi High (pH 8-9.5) -0.08 0.88 -7.42 2 5 0 78 207.233 4 ↓

Analogs

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Popular Name: (2R)-N-ethyl-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (2R)-N-ethyl-2-[3-(3-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) 1.31 3.07 -47.94 2 5 1 69 222.268 5 ↓

Analogs

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Popular Name: (2S)-N-ethyl-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (2S)-N-ethyl-2-[3-(3-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) 1.31 3.07 -47.91 2 5 1 69 222.268 5 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanyl-propan-1-amine (1S)-1-[3-(3-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) -0.72 1.63 -54.87 3 5 1 80 240.308 5 ↓
Hi High (pH 8-9.5) -0.72 1.3 -10.26 2 5 0 78 239.3 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanyl-propan-1-amine (1R)-1-[3-(3-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) -0.72 1.63 -54.87 3 5 1 80 240.308 5 ↓
Hi High (pH 8-9.5) -0.72 1.34 -8.94 2 5 0 78 239.3 5 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-2-methyl-propan-1-amine (1S)-1-[3-(3-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) -0.40 1.02 -48.98 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -0.40 0.72 -7.4 2 5 0 78 207.233 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-2-methyl-propan-1-amine (1R)-1-[3-(3-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) -0.40 0.91 -49.69 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -0.40 0.59 -8.67 2 5 0 78 207.233 3 ↓

Analogs

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Popular Name: 3-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]propan-1-amine 3-[3-(3-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) 0.25 0.49 -53.27 3 5 1 80 194.214 4 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-3-methyl-butan-1-amine (1S)-1-[3-(3-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) 0.14 1.67 -50.49 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 0.14 1.4 -7.26 2 5 0 78 221.26 4 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]-3-methyl-butan-1-amine (1R)-1-[3-(3-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) 0.14 1.66 -50.36 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 0.14 1.34 -8.31 2 5 0 78 221.26 4 ↓

Analogs

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Popular Name: (2S)-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(3-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) 2.25 1.6 -47.25 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 2.25 1.39 -7.2 2 5 0 78 221.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(3-furyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(3-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) 2.25 1.6 -47.42 3 5 1 80 222.268 4 ↓
Hi High (pH 8-9.5) 2.25 1.32 -8.48 2 5 0 78 221.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(3-furyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine N-[[3-(3-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) 1.22 2.23 -44.61 2 5 1 69 208.241 4 ↓
Hi High (pH 8-9.5) 1.22 1.02 -8.14 1 5 0 64 207.233 4 ↓

Parameters Provided:

ring.id = 159659
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 = 159659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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