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Analogs

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Popular Name: 5-(2-chloroethyl)-3-(1-naphthyl)-1,2,4-oxadiazole 5-(2-chloroethyl)-3-(1-naphthyl)…

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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) 3.99 7.33 -8.83 0 3 0 39 258.708 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-chloroethyl]-3-(1-naphthyl)-1,2,4-oxadiazole 5-[(1S)-1-chloroethyl]-3-(1-naph…

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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) 4.14 6.91 -9.54 0 3 0 39 258.708 2 ↓

Analogs

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Popular Name: 5-[(1R)-1-chloroethyl]-3-(1-naphthyl)-1,2,4-oxadiazole 5-[(1R)-1-chloroethyl]-3-(1-naph…

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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) 4.14 6.91 -9.81 0 3 0 39 258.708 2 ↓

Analogs

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

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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) 4.26 8.1 -11.31 0 3 0 39 272.735 4 ↓

Analogs

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Popular Name: 5-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(1-naphthyl)-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) 3.24 6.41 -50.19 3 4 1 67 282.367 6 ↓

Analogs

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

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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 5.73 -50.78 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.35 5.43 -8.63 2 4 0 65 281.359 4 ↓

Analogs

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

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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 5.71 -50.08 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.35 5.41 -9.92 2 4 0 65 281.359 4 ↓

Analogs

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Popular Name: C-(3-Naphthalen-1-yl-[1,2,4]oxadiazol-5-yl)-methylamine C-(3-Naphthalen-1-yl-[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) 2.39 3.32 -53.17 3 4 1 67 226.259 2 ↓
Hi High (pH 8-9.5) 2.39 2.91 -10.27 2 4 0 65 225.251 2 ↓

Analogs

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Popular Name: 2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(1-naphthyl)-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) 2.19 4.07 -54.58 3 4 1 67 240.286 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 6.42 -48.99 2 4 1 56 268.34 5 ↓

Analogs

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

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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) 1.49 5.68 -55.31 3 4 1 67 300.407 5 ↓
Hi High (pH 8-9.5) 1.49 5.38 -10.31 2 4 0 65 299.399 5 ↓

Analogs

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

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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) 1.49 5.68 -54.52 3 4 1 67 300.407 5 ↓
Hi High (pH 8-9.5) 1.49 5.35 -11.57 2 4 0 65 299.399 5 ↓

Analogs

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Popular Name: (1S,2S)-1-amino-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2S)-1-amino-1-[3-(1-naphthyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 1.15 -54.62 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.43 0.83 -12.89 3 5 0 85 269.304 3 ↓

Analogs

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Popular Name: (1S,2R)-1-amino-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2R)-1-amino-1-[3-(1-naphthyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 1.59 -54.92 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.43 1.27 -12.8 3 5 0 85 269.304 3 ↓

Analogs

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Popular Name: (1R,2S)-1-amino-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2S)-1-amino-1-[3-(1-naphthyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 1.49 -54.04 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.43 1.21 -10.99 3 5 0 85 269.304 3 ↓

Analogs

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Popular Name: (1R,2R)-1-amino-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2R)-1-amino-1-[3-(1-naphthyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 1.15 -53.63 4 5 1 87 270.312 3 ↓
Mid Mid (pH 6-8) 0.43 0.87 -11.01 3 5 0 85 269.304 3 ↓

Analogs

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

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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) 1.82 5.06 -49.41 3 4 1 67 268.34 3 ↓
Hi High (pH 8-9.5) 1.82 4.63 -10.07 2 4 0 65 267.332 3 ↓

Analogs

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

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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) 1.82 4.95 -50.19 3 4 1 67 268.34 3 ↓
Hi High (pH 8-9.5) 1.82 4.75 -8.71 2 4 0 65 267.332 3 ↓

Analogs

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Popular Name: 3-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-amine 3-[3-(1-naphthyl)-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) 2.46 4.85 -52.68 3 4 1 67 254.313 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 4.88 -48.03 2 4 1 56 240.286 3 ↓
Hi High (pH 8-9.5) 2.76 3.44 -9.87 1 4 0 51 239.278 3 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S,2R)-2-methyl-1-[3-(1-naphthy…

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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) 2.32 5.68 -50.6 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.32 5.4 -8.71 2 4 0 65 281.359 4 ↓

Analogs

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

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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) 2.32 5.6 -51.24 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.32 5.33 -8.7 2 4 0 65 281.359 4 ↓

Analogs

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

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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) 2.32 5.59 -51.2 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.32 5.28 -9.9 2 4 0 65 281.359 4 ↓

Analogs

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Popular Name: (1R,2S)-2-methyl-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R,2S)-2-methyl-1-[3-(1-naphthy…

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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) 2.32 5.7 -49.82 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 2.32 5.36 -10.1 2 4 0 65 281.359 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]ethanol (2R)-2-amino-2-[3-(1-naphthyl)-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) 0.06 0.68 -46.83 4 5 1 87 256.285 3 ↓
Mid Mid (pH 6-8) 0.06 0.29 -9.66 3 5 0 85 255.277 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]ethanol (2S)-2-amino-2-[3-(1-naphthyl)-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) 0.06 0.68 -46.53 4 5 1 87 256.285 3 ↓
Mid Mid (pH 6-8) 0.06 0.34 -9.78 3 5 0 85 255.277 3 ↓

Analogs

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Popular Name: (2S)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (2S)-1-[3-(1-naphthyl)-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) 2.59 4.44 -47 3 4 1 67 254.313 3 ↓

Analogs

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Popular Name: (2R)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (2R)-1-[3-(1-naphthyl)-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) 2.59 4.62 -44.46 3 4 1 67 254.313 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-1-[3-(1-naphthyl)-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) 1.57 4.46 -49.57 3 4 1 67 254.313 3 ↓
Hi High (pH 8-9.5) 1.57 4.12 -9.99 2 4 0 65 253.305 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-1-[3-(1-naphthyl)-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) 1.57 4.46 -48.93 3 4 1 67 254.313 3 ↓
Hi High (pH 8-9.5) 1.57 4.16 -8.78 2 4 0 65 253.305 3 ↓

Analogs

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

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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) 2.40 5.45 -49.97 3 4 1 67 282.367 3 ↓

Analogs

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

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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) 2.40 5.44 -49.92 3 4 1 67 282.367 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1S)-1-[3-(1-naphthyl)-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) 2.64 6 -51.42 3 4 1 67 282.367 5 ↓
Hi High (pH 8-9.5) 2.64 5.67 -9.87 2 4 0 65 281.359 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1R)-1-[3-(1-naphthyl)-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) 2.64 6 -50.83 3 4 1 67 282.367 5 ↓
Hi High (pH 8-9.5) 2.64 5.71 -8.63 2 4 0 65 281.359 5 ↓

Analogs

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Popular Name: (2S)-2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(1-naphthyl)-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) 4.46 5.65 -47.39 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 4.46 5.4 -10 2 4 0 65 281.359 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(1-naphthyl)-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) 4.46 5.64 -46.01 3 4 1 67 282.367 4 ↓
Hi High (pH 8-9.5) 4.46 5.39 -8.43 2 4 0 65 281.359 4 ↓

Analogs

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Popular Name: (1S)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-1-[3-(1-naphthyl)-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) 2.13 5.22 -50.93 3 4 1 67 268.34 4 ↓
Hi High (pH 8-9.5) 2.13 4.89 -9.91 2 4 0 65 267.332 4 ↓

Analogs

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Popular Name: (1R)-1-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R)-1-[3-(1-naphthyl)-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) 2.13 5.22 -50.31 3 4 1 67 268.34 4 ↓
Hi High (pH 8-9.5) 2.13 4.93 -8.66 2 4 0 65 267.332 4 ↓

Analogs

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Popular Name: N-[[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine N-[[3-(1-naphthyl)-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) 3.44 6.27 -44.84 2 4 1 56 268.34 4 ↓
Hi High (pH 8-9.5) 3.44 5.06 -9.42 1 4 0 51 267.332 4 ↓

Analogs

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Popular Name: N-[2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine N-[2-[3-(1-naphthyl)-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) 3.84 7.02 -48.18 2 4 1 56 282.367 5 ↓

Analogs

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Popular Name: (2R)-N-[[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2R)-N-[[3-(1-naphthyl)-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) 3.97 7.08 -44.35 2 4 1 56 282.367 5 ↓
Hi High (pH 8-9.5) 3.97 6.02 -9.28 1 4 0 51 281.359 5 ↓

Analogs

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Popular Name: (2S)-N-[[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2S)-N-[[3-(1-naphthyl)-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) 3.97 7.08 -44.5 2 4 1 56 282.367 5 ↓
Hi High (pH 8-9.5) 3.97 5.86 -9.28 1 4 0 51 281.359 5 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 6.49 -49.37 2 4 1 56 268.34 5 ↓

Analogs

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Popular Name: 2-methyl-4-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]butan-2-amine 2-methyl-4-[3-(1-naphthyl)-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 5.71 -51.55 3 4 1 67 282.367 4 ↓

Analogs

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

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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) 3.32 5.34 -45.21 2 4 1 56 254.313 3 ↓
Hi High (pH 8-9.5) 3.32 4.05 -9.19 1 4 0 51 253.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.32 5.35 -44.7 2 4 1 56 254.313 3 ↓
Hi High (pH 8-9.5) 3.32 4.09 -10.43 1 4 0 51 253.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (2S)-2-[3-(1-naphthyl)-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) 2.52 4.39 -54.52 3 4 1 67 254.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(1-naphthyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (2R)-2-[3-(1-naphthyl)-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) 2.52 4.4 -55.2 3 4 1 67 254.313 3 ↓

Analogs

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

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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 3.52 -53.39 3 5 1 76 284.339 5 ↓
Hi High (pH 8-9.5) 0.95 3.22 -10.24 2 5 0 74 283.331 5 ↓

Analogs

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

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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 3.52 -52.57 3 5 1 76 284.339 5 ↓
Hi High (pH 8-9.5) 0.95 3.19 -11.46 2 5 0 74 283.331 5 ↓

Parameters Provided:

ring.id = 126298
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 = 126298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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