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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-methoxypropyl)-3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-(3-methoxypropyl)-3-[3-(2-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.71 1.52 -14.31 1 7 0 90 290.323 8 ↓
Lo Low (pH 4.5-6) 0.71 2.07 -38.69 2 7 1 91 291.331 8 ↓

Analogs

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Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-[2-(ethylamino)-2-oxo-ethyl]-3…

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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) 0.44 0.19 -15.81 2 8 0 110 303.322 7 ↓
Lo Low (pH 4.5-6) 0.44 0.75 -39.37 3 8 1 111 304.33 7 ↓

Analogs

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Popular Name: methyl methyl

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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 3.24 -16.9 1 8 0 107 318.333 9 ↓
Lo Low (pH 4.5-6) 0.55 3.8 -41.13 2 8 1 108 319.341 9 ↓

Analogs

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Popular Name: 2-[5-(1-chloroethyl)-1,2,4-oxadiazol-3-yl]pyridine 2-[5-(1-chloroethyl)-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) 1.84 3.2 -9.11 0 4 0 52 209.636 2 ↓
Lo Low (pH 4.5-6) 1.84 3.74 -33.21 1 4 1 53 210.644 2 ↓

Analogs

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Popular Name: 2-[5-(1-chloroethyl)-1,2,4-oxadiazol-3-yl]pyridine 2-[5-(1-chloroethyl)-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) 1.84 3.2 -9.13 0 4 0 52 209.636 2 ↓
Lo Low (pH 4.5-6) 1.84 3.74 -33.2 1 4 1 53 210.644 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2S)-2-[3-(2-pyridyl)-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) 2.15 1.79 -44.72 3 5 1 79 233.295 4 ↓
Hi High (pH 8-9.5) 2.15 1.57 -8.57 2 5 0 78 232.287 4 ↓
Lo Low (pH 4.5-6) 2.15 2.34 -91.61 4 5 2 81 234.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (2R)-2-[3-(2-pyridyl)-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) 2.15 1.78 -44.62 3 5 1 79 233.295 4 ↓
Hi High (pH 8-9.5) 2.15 1.5 -10.66 2 5 0 78 232.287 4 ↓
Lo Low (pH 4.5-6) 2.15 2.33 -91.78 4 5 2 81 234.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]ethane-1,2-diamine N-methyl-N-[[3-(2-pyridyl)-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) -0.49 1.37 -125.72 4 6 2 84 235.291 5 ↓
Mid Mid (pH 6-8) -0.49 -0.98 -53.23 3 6 1 83 234.283 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic 2-[[3-(2-pyridyl)-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) 0.64 3.79 -51.54 0 6 -1 92 250.259 5 ↓
Lo Low (pH 4.5-6) 0.64 4.35 -62.13 1 6 0 93 251.267 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic 3-[[3-(2-pyridyl)-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) 0.91 4.59 -48.97 0 6 -1 92 264.286 6 ↓
Lo Low (pH 4.5-6) 0.91 5.15 -62.32 1 6 0 93 265.294 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-bromopropyl]-3-(3-methyl-2-pyridyl)-1,2,4-oxadiazole 5-[(1S)-1-bromopropyl]-3-(3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 4.7 -9.11 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 2.87 5.25 -33.77 1 4 1 53 283.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-bromopropyl]-3-(3-methyl-2-pyridyl)-1,2,4-oxadiazole 5-[(1R)-1-bromopropyl]-3-(3-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 4.7 -9.11 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 2.87 5.25 -33.87 1 4 1 53 283.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.47 3.85 -9.02 0 4 0 52 268.114 3 ↓
Lo Low (pH 4.5-6) 2.47 4.4 -33.64 1 4 1 53 269.122 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.47 3.85 -9.05 0 4 0 52 268.114 3 ↓
Lo Low (pH 4.5-6) 2.47 4.4 -33.65 1 4 1 53 269.122 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-formamido-3-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[3-(2-pyridy…

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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 2.57 -57.23 1 8 -1 121 307.311 7 ↓
Lo Low (pH 4.5-6) -1.66 3.19 -71.69 2 8 0 122 308.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-formamido-3-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[3-(2-pyridy…

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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 2.56 -57.6 1 8 -1 121 307.311 7 ↓
Lo Low (pH 4.5-6) -1.66 3.06 -71.09 2 8 0 122 308.319 7 ↓

Analogs

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Popular Name: methyl methyl

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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 1.72 -13.85 2 7 0 104 294.336 7 ↓
Lo Low (pH 4.5-6) 0.12 2.06 -50.05 3 7 1 106 295.344 7 ↓

Analogs

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Popular Name: methyl methyl

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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 1.74 -14.08 2 7 0 104 294.336 7 ↓
Lo Low (pH 4.5-6) 0.12 2.07 -49.11 3 7 1 106 295.344 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(2-pyridyl)-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) 0.42 1.46 -52.4 3 5 1 79 219.268 5 ↓
Lo Low (pH 4.5-6) 0.42 2.02 -86.92 4 5 2 81 220.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-N-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine N-propyl-N-[[3-(2-pyridyl)-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) 2.46 5.81 -41.42 1 5 1 56 261.349 7 ↓
Lo Low (pH 4.5-6) 2.46 6.49 -85.92 2 5 2 57 262.357 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(3-methyl-2-pyridyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(3-methyl-2-pyridyl)-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) 0.83 2.31 -52.09 3 5 1 79 233.295 5 ↓
Lo Low (pH 4.5-6) 0.83 2.86 -87.88 4 5 2 81 234.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(6-methyl-2-pyridyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(6-methyl-2-pyridyl)-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) 0.48 2.07 -52.38 3 5 1 79 233.295 5 ↓
Lo Low (pH 4.5-6) 0.48 2.59 -84.1 4 5 2 81 234.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(4-methyl-2-pyridyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(4-methyl-2-pyridyl)-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) 0.83 2.12 -52.14 3 5 1 79 233.295 5 ↓
Lo Low (pH 4.5-6) 0.83 2.68 -87.32 4 5 2 81 234.303 5 ↓

Analogs

20906388
20906388
34977162
34977162

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-dimethyl-N'-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N'-[[3-(2-pyridyl)…

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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) 0.49 3.25 -121.59 3 6 2 73 249.318 6 ↓
Hi High (pH 8-9.5) 0.49 1.79 -43.12 2 6 1 68 248.31 6 ↓
Mid Mid (pH 6-8) 0.49 0.91 -48.52 2 6 1 72 248.31 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromoallyl)-3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanamide N-(2-bromoallyl)-3-[3-(2-pyridyl…

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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 2.86 -13.18 1 6 0 81 337.177 6 ↓
Lo Low (pH 4.5-6) 1.57 3.42 -37.12 2 6 1 82 338.185 6 ↓

Analogs

12718363
12718363
12718365
12718365

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.66 3.55 -53.33 2 7 1 95 277.304 8 ↓
Hi High (pH 8-9.5) 0.66 2.2 -13.26 1 7 0 90 276.296 8 ↓
Lo Low (pH 4.5-6) 0.66 4.1 -99.48 3 7 2 96 278.312 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-methylpropyl]-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic 2-[[(1R)-1-methylpropyl]-[[3-(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) 0.25 5.74 -39.81 1 7 0 96 290.323 7 ↓
Lo Low (pH 4.5-6) 0.25 6.3 -68.16 2 7 1 98 291.331 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-methylpropyl]-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic 2-[[(1S)-1-methylpropyl]-[[3-(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) 0.25 5.55 -39.57 1 7 0 96 290.323 7 ↓
Lo Low (pH 4.5-6) 0.25 6.1 -69.32 2 7 1 98 291.331 7 ↓

Parameters Provided:

ring.id = 19000
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 = 19000 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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