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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-isopropyl-acetamide 2-[[5-(2,5-dimethyl-3-furyl)-1,3…

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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) 1.70 -2.3 -10.7 1 6 0 81 295.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide 2-[[5-(2,5-dimethyl-3-furyl)-1,3…

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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) 0.65 -3.79 -11.49 2 6 0 95 253.283 4 ↓

Analogs

34964312
34964312

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Popular Name: 2-(2,5-dimethyl-3-furyl)-5-ethylsulfanyl-1,3,4-oxadiazole 2-(2,5-dimethyl-3-furyl)-5-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) 2.29 -0.64 -7.1 0 4 0 52 224.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.64 0.57 -124.17 4 6 2 84 252.318 5 ↓
Mid Mid (pH 6-8) -0.64 -1.79 -51.37 3 6 1 83 251.31 5 ↓

Analogs

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Popular Name: 3-[[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic 3-[[5-(2,5-dimethyl-3-furyl)-1,3…

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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) 0.76 3.88 -45.94 0 6 -1 92 281.313 6 ↓

Analogs

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

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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 3.18 -6.9 0 4 0 52 285.141 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 3.18 -6.86 0 4 0 52 285.141 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-(2-methyl-3-furyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2-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) 2.10 2.36 -7.3 0 4 0 52 271.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(2-methyl-3-furyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(2-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) 2.10 2.36 -7.31 0 4 0 52 271.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-(3-furyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(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) 1.88 1.2 -8.76 0 4 0 52 257.087 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(3-furyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(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) 1.88 1.2 -8.77 0 4 0 52 257.087 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.88 -0.07 -44.84 3 5 1 80 222.268 3 ↓
Hi High (pH 8-9.5) -0.88 -0.42 -7.68 2 5 0 78 221.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.88 -0.06 -44.86 3 5 1 80 222.268 3 ↓
Hi High (pH 8-9.5) -0.88 -0.38 -6.45 2 5 0 78 221.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(3-furyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(3-furyl)-1,3,4-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) -1.32 -2.05 -46.33 3 5 1 80 194.214 3 ↓
Hi High (pH 8-9.5) -1.32 -2.4 -9.2 2 5 0 78 193.206 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(3-furyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(3-furyl)-1,3,4-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) -1.32 -2.05 -46.37 3 5 1 80 194.214 3 ↓
Hi High (pH 8-9.5) -1.32 -2.36 -8.01 2 5 0 78 193.206 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -1.10 -0.89 -44.85 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -1.10 -1.21 -6.78 2 5 0 78 207.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -1.10 -0.89 -44.92 3 5 1 80 208.241 3 ↓
Hi High (pH 8-9.5) -1.10 -1.24 -8.04 2 5 0 78 207.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.37 1.69 -39.96 2 5 1 69 236.295 4 ↓
Hi High (pH 8-9.5) 1.37 0.13 -7.21 1 5 0 64 235.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.37 1.69 -40.05 2 5 1 69 236.295 4 ↓
Hi High (pH 8-9.5) 1.37 0.14 -8.15 1 5 0 64 235.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3-furyl)-1,3,4-oxadiazol-2-yl]thio]acetamide 2-[[5-(3-furyl)-1,3,4-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) 0.21 -3.62 -12.9 2 6 0 95 225.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(3-furyl)-1,3,4-oxadiazol-2-yl]thio]acetone 1-[[5-(3-furyl)-1,3,4-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) 1.02 0.21 -11.28 0 5 0 69 224.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-furyl)-5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazole 2-(3-furyl)-5-(2-methoxyethylsul…

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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 -0.56 -9.5 0 5 0 61 226.257 5 ↓

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) -0.03 1.06 -11.44 2 7 0 104 311.363 7 ↓
Lo Low (pH 4.5-6) -0.03 1.35 -46.94 3 7 1 106 312.371 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) -0.03 1 -11.28 2 7 0 104 311.363 7 ↓
Lo Low (pH 4.5-6) -0.03 1.35 -48.1 3 7 1 106 312.371 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pentanamide 5-[[5-(2-methyl-3-furyl)-1,3,4-o…

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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) 1.48 -0.23 -15.19 2 6 0 95 281.337 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-hydroxyethyl)-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-(2-hydroxyethyl)-3-[5-(2-methy…

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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 -3.32 -12.97 2 7 0 101 265.269 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-hydroxypropyl)-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-(3-hydroxypropyl)-3-[5-(2-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) -0.28 -2.56 -12.82 2 7 0 101 279.296 7 ↓

Analogs

40768823
40768823

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-hydroxypropyl]-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-[(2R)-2-hydroxypropyl]-3-[5-(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) -0.18 -2.48 -12.66 2 7 0 101 279.296 6 ↓

Analogs

40768821
40768821

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-hydroxypropyl]-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-[(2S)-2-hydroxypropyl]-3-[5-(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) -0.18 -2.55 -12.61 2 7 0 101 279.296 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-(2-methoxyethyl)-3-[5-(2-methy…

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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) 0.07 -0.91 -11.8 1 7 0 90 279.296 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-(2-dimethylaminoethyl)-3-[5-(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) 0.11 1.29 -46.4 2 7 1 86 293.347 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-[3-(dimethylamino)propyl]-3-[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) 0.39 2.08 -46.58 2 7 1 86 307.374 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) -0.05 0.12 -12.11 1 8 0 107 293.279 7 ↓

Analogs

40768843
40768843

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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) 1.06 2.18 -10.92 1 8 0 107 335.36 8 ↓

Analogs

40768841
40768841

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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) 1.06 2.18 -11.09 1 8 0 107 335.36 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(dimethylamino)-2-oxo-ethyl]-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-[2-(dimethylamino)-2-oxo-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) -1.01 -0.43 -13.79 1 8 0 101 306.322 6 ↓

Analogs

40768855
40768855

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-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) 0.07 -1.35 -13.66 2 8 0 110 306.322 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-[2-(isopropylamino)-2-oxo-ethy…

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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) 0.37 -0.68 -13.52 2 8 0 110 320.349 7 ↓

Analogs

40768851
40768851

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Popular Name: N-[2-(methylamino)-2-oxo-ethyl]-3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanamide N-[2-(methylamino)-2-oxo-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) -0.31 -2.34 -14.1 2 8 0 110 292.295 6 ↓

Analogs

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

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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) 0.34 2.43 -119.87 3 6 2 73 266.345 6 ↓
Hi High (pH 8-9.5) 0.34 0.99 -40.86 2 6 1 69 265.337 6 ↓
Mid Mid (pH 6-8) 0.34 0.09 -46.6 2 6 1 72 265.337 6 ↓

Analogs

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Popular Name: N-carbamoyl-3-[[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide N-carbamoyl-3-[[5-(2-methyl-3-fu…

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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) 0.35 -1.49 -25.93 3 8 0 124 296.308 5 ↓

Analogs

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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) 0.51 2.85 -50.94 2 7 1 95 294.331 8 ↓
Hi High (pH 8-9.5) 0.51 1.49 -10.68 1 7 0 90 293.323 8 ↓

Analogs

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Popular Name: 3-[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(2,5-dimethyl-3-furyl)-1,3,…

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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) 0.45 2.51 -44.5 0 6 -1 92 235.219 4 ↓

Analogs

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Popular Name: 3-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(2-methyl-3-furyl)-1,3,4-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) 0.22 1.55 -44.94 0 6 -1 92 221.192 4 ↓

Analogs

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Popular Name: 3-[5-(3-furyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(3-furyl)-1,3,4-oxadiazol-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) 0.00 0.54 -45.58 0 6 -1 92 207.165 4 ↓

Analogs

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

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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) 0.72 3.3 -50.04 0 6 -1 92 249.246 5 ↓

Analogs

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Popular Name: 4-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(2-methyl-3-furyl)-1,3,4-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) 0.49 2.33 -50.32 0 6 -1 92 235.219 5 ↓

Analogs

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Popular Name: 4-[5-(3-furyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(3-furyl)-1,3,4-oxadiazol-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) 0.27 1.32 -51.26 0 6 -1 92 221.192 5 ↓

Analogs

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Popular Name: 5-[5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(2,5-dimethyl-3-furyl)-1,3,…

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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) 1.22 4.08 -48.05 0 6 -1 92 263.273 6 ↓

Analogs

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Popular Name: 5-[5-(2-methyl-3-furyl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(2-methyl-3-furyl)-1,3,4-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) 1.00 3.11 -48.43 0 6 -1 92 249.246 6 ↓

Parameters Provided:

ring.id = 57159
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 = 57159 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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