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Popular Name: 5-(chloromethyl)-3-(6-quinolyl)-1,2,4-oxadiazole 5-(chloromethyl)-3-(6-quinolyl)-…

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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) 2.60 4.64 -9.85 0 4 0 52 245.669 2 ↓

Analogs

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Popular Name: 5-(2-chloroethyl)-3-(6-quinolyl)-1,2,4-oxadiazole 5-(2-chloroethyl)-3-(6-quinolyl)…

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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) 2.81 5.43 -8.87 0 4 0 52 259.696 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-chloroethyl]-3-(6-quinolyl)-1,2,4-oxadiazole 5-[(1S)-1-chloroethyl]-3-(6-quin…

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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) 2.97 5.32 -8.93 0 4 0 52 259.696 2 ↓

Analogs

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Popular Name: 5-[(1R)-1-chloroethyl]-3-(6-quinolyl)-1,2,4-oxadiazole 5-[(1R)-1-chloroethyl]-3-(6-quin…

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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) 2.97 5.32 -8.93 0 4 0 52 259.696 2 ↓

Analogs

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Popular Name: 5-(3-chloropropyl)-3-(6-quinolyl)-1,2,4-oxadiazole 5-(3-chloropropyl)-3-(6-quinolyl…

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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) 3.08 6.2 -11.27 0 4 0 52 273.723 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-bromopropyl]-3-(6-quinolyl)-1,2,4-oxadiazole 5-[(1S)-1-bromopropyl]-3-(6-quin…

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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) 3.60 6.12 -8.12 0 4 0 52 318.174 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-bromopropyl]-3-(6-quinolyl)-1,2,4-oxadiazole 5-[(1R)-1-bromopropyl]-3-(6-quin…

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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) 3.60 6.12 -8.11 0 4 0 52 318.174 3 ↓

Analogs

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Popular Name: (1S)-3-methylsulfanyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-3-methylsulfanyl-1-[3-(6-qu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.31 4.09 -56.79 3 5 1 79 301.395 5 ↓
Hi High (pH 8-9.5) 0.31 3.79 -9.53 2 5 0 78 300.387 5 ↓

Analogs

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Popular Name: (1R)-3-methylsulfanyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-3-methylsulfanyl-1-[3-(6-qu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.31 4.09 -56.81 3 5 1 79 301.395 5 ↓
Hi High (pH 8-9.5) 0.31 3.75 -10.78 2 5 0 78 300.387 5 ↓

Analogs

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Popular Name: (1S,2S)-1-amino-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2S)-1-amino-1-[3-(6-quinolyl…

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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) -0.75 -0.45 -55.83 4 6 1 100 271.3 3 ↓
Mid Mid (pH 6-8) -0.75 -0.72 -10.35 3 6 0 98 270.292 3 ↓

Analogs

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Popular Name: (1S,2R)-1-amino-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1S,2R)-1-amino-1-[3-(6-quinolyl…

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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) -0.75 0 -56.14 4 6 1 100 271.3 3 ↓
Mid Mid (pH 6-8) -0.75 -0.27 -10.24 3 6 0 98 270.292 3 ↓

Analogs

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Popular Name: (1R,2S)-1-amino-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2S)-1-amino-1-[3-(6-quinolyl…

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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) -0.75 -0.1 -56.08 4 6 1 100 271.3 3 ↓
Mid Mid (pH 6-8) -0.75 -0.43 -11.77 3 6 0 98 270.292 3 ↓

Analogs

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Popular Name: (1R,2R)-1-amino-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (1R,2R)-1-amino-1-[3-(6-quinolyl…

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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) -0.75 -0.45 -55.85 4 6 1 100 271.3 3 ↓
Mid Mid (pH 6-8) -0.75 -0.77 -11.81 3 6 0 98 270.292 3 ↓

Analogs

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Popular Name: (1S)-2-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-2-methyl-1-[3-(6-quinolyl)-…

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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 3.47 -50.75 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 0.64 3.04 -9.25 2 5 0 78 268.32 3 ↓

Analogs

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Popular Name: (1R)-2-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-2-methyl-1-[3-(6-quinolyl)-…

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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 3.36 -51.51 3 5 1 79 269.328 3 ↓
Hi High (pH 8-9.5) 0.64 3.16 -8.01 2 5 0 78 268.32 3 ↓

Analogs

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Popular Name: 3-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine 3-[3-(6-quinolyl)-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) 1.28 2.96 -53.86 3 5 1 79 255.301 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]methanamine N-methyl-1-[3-(6-quinolyl)-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) 1.59 3.3 -49.17 2 5 1 68 241.274 3 ↓
Hi High (pH 8-9.5) 1.59 1.85 -9.19 1 5 0 64 240.266 3 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S,2R)-2-methyl-1-[3-(6-quinoly…

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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 4.08 -52.01 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 1.14 3.76 -9.12 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S,2S)-2-methyl-1-[3-(6-quinoly…

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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 4 -52.61 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 1.14 3.69 -9.1 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: (1R,2R)-2-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R,2R)-2-methyl-1-[3-(6-quinoly…

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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 4 -52.57 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 1.14 3.74 -7.86 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: (1R,2S)-2-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R,2S)-2-methyl-1-[3-(6-quinoly…

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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 4.11 -51.96 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 1.14 3.81 -7.92 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]ethanol (2R)-2-amino-2-[3-(6-quinolyl)-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) -1.12 -1.23 -48.65 4 6 1 100 257.273 3 ↓
Mid Mid (pH 6-8) -1.12 -1.62 -9.61 3 6 0 98 256.265 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]ethanol (2S)-2-amino-2-[3-(6-quinolyl)-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) -1.12 -1.23 -48.64 4 6 1 100 257.273 3 ↓
Mid Mid (pH 6-8) -1.12 -1.56 -9.57 3 6 0 98 256.265 3 ↓

Analogs

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Popular Name: 5-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine 5-[3-(6-quinolyl)-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) 2.06 4.52 -50.67 3 5 1 79 283.355 6 ↓

Analogs

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Popular Name: (1S)-3-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-3-methyl-1-[3-(6-quinolyl)-…

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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) 1.17 4.13 -52.44 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 1.17 3.85 -7.83 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: (1R)-3-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R)-3-methyl-1-[3-(6-quinolyl)-…

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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) 1.17 4.12 -52.25 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 1.17 3.79 -8.91 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: C-(3-Quinolin-6-yl-[1,2,4]oxadiazol-5-yl)-methylamine C-(3-Quinolin-6-yl-[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) 1.21 1.43 -55.42 3 5 1 79 227.247 2 ↓
Hi High (pH 8-9.5) 1.21 1.02 -10.01 2 5 0 78 226.239 2 ↓

Analogs

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Popular Name: 2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]ethanamine 2-[3-(6-quinolyl)-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) 1.01 2.18 -56.18 3 5 1 79 241.274 3 ↓

Analogs

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Popular Name: N-methyl-3-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine N-methyl-3-[3-(6-quinolyl)-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) 2.26 4.83 -49.07 2 5 1 68 269.328 5 ↓

Analogs

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Popular Name: (2S)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (2S)-1-[3-(6-quinolyl)-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) 1.41 2.85 -48.14 3 5 1 79 255.301 3 ↓

Analogs

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Popular Name: (2R)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (2R)-1-[3-(6-quinolyl)-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) 1.41 3.05 -47.33 3 5 1 79 255.301 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-1-[3-(6-quinolyl)-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) 0.40 2.86 -51.01 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.40 2.53 -9.15 2 5 0 78 254.293 3 ↓

Analogs

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Popular Name: (1R)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-1-[3-(6-quinolyl)-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) 0.40 2.86 -50.98 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) 0.40 2.56 -8.05 2 5 0 78 254.293 3 ↓

Analogs

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Popular Name: (1S)-2,2-dimethyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1S)-2,2-dimethyl-1-[3-(6-quinol…

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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 3.85 -51.23 3 5 1 79 283.355 3 ↓

Analogs

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Popular Name: (1R)-2,2-dimethyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (1R)-2,2-dimethyl-1-[3-(6-quinol…

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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 3.84 -51.23 3 5 1 79 283.355 3 ↓

Analogs

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Popular Name: (1S)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1S)-1-[3-(6-quinolyl)-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) 1.46 4.41 -53 3 5 1 79 283.355 5 ↓
Hi High (pH 8-9.5) 1.46 4.08 -9.07 2 5 0 78 282.347 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (1R)-1-[3-(6-quinolyl)-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) 1.46 4.41 -53 3 5 1 79 283.355 5 ↓
Hi High (pH 8-9.5) 1.46 4.12 -7.95 2 5 0 78 282.347 5 ↓

Analogs

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Popular Name: (2S)-2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(6-quinolyl)-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) 3.28 4.06 -48.3 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 3.28 3.84 -7.63 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(6-quinolyl)-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) 3.28 4.06 -48.41 3 5 1 79 283.355 4 ↓
Hi High (pH 8-9.5) 3.28 3.77 -9.16 2 5 0 78 282.347 4 ↓

Analogs

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Popular Name: (1S)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1S)-1-[3-(6-quinolyl)-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) 0.95 3.63 -52.41 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.95 3.3 -9.15 2 5 0 78 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (1R)-1-[3-(6-quinolyl)-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) 0.95 3.63 -52.37 3 5 1 79 269.328 4 ↓
Hi High (pH 8-9.5) 0.95 3.34 -7.94 2 5 0 78 268.32 4 ↓

Analogs

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Popular Name: N-[[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine N-[[3-(6-quinolyl)-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) 2.26 4.69 -46.21 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 2.26 3.45 -8.87 1 5 0 64 268.32 4 ↓

Analogs

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Popular Name: N-[2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine N-[2-[3-(6-quinolyl)-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) 2.66 5.43 -48.91 2 5 1 68 283.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2R)-N-[[3-(6-quinolyl)-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) 2.80 5.48 -45.73 2 5 1 68 283.355 5 ↓
Hi High (pH 8-9.5) 2.80 4.42 -8.74 1 5 0 64 282.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine (2S)-N-[[3-(6-quinolyl)-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) 2.80 5.48 -45.83 2 5 1 68 283.355 5 ↓
Hi High (pH 8-9.5) 2.80 4.27 -8.65 1 5 0 64 282.347 5 ↓

Analogs

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Popular Name: N-ethyl-2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]ethanamine N-ethyl-2-[3-(6-quinolyl)-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) 2.02 4.9 -50.07 2 5 1 68 269.328 5 ↓

Analogs

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Popular Name: 2-methyl-4-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]butan-2-amine 2-methyl-4-[3-(6-quinolyl)-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) 2.70 3.91 -49.98 3 5 1 79 283.355 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]ethanamine (1S)-N-methyl-1-[3-(6-quinolyl)-…

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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 3.75 -46.58 2 5 1 68 255.301 3 ↓
Hi High (pH 8-9.5) 2.15 2.46 -8.34 1 5 0 64 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]ethanamine (1R)-N-methyl-1-[3-(6-quinolyl)-…

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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 3.76 -46.57 2 5 1 68 255.301 3 ↓
Hi High (pH 8-9.5) 2.15 2.5 -9.39 1 5 0 64 254.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(6-quinolyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (2S)-2-[3-(6-quinolyl)-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) 1.34 2.8 -55.76 3 5 1 79 255.301 3 ↓

Parameters Provided:

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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 = 274400 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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