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Analogs

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Popular Name: (2S)-2-amino-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanol (2S)-2-amino-2-(3-cyclopropyl-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.76 -3.05 -46.14 4 5 1 87 170.192 3 ↓
Mid Mid (pH 6-8) -2.76 -3.37 -7.62 3 5 0 85 169.184 3 ↓

Analogs

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Popular Name: (2R)-2-amino-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanol (2R)-2-amino-2-(3-cyclopropyl-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.76 -3.05 -46.15 4 5 1 87 170.192 3 ↓
Mid Mid (pH 6-8) -2.76 -3.37 -7.83 3 5 0 85 169.184 3 ↓

Analogs

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Popular Name: (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentan-2-amine (2S)-2-(3-cyclopropyl-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) 1.64 2.16 -43.72 3 4 1 67 196.274 4 ↓
Hi High (pH 8-9.5) 1.64 1.95 -4.96 2 4 0 65 195.266 4 ↓

Analogs

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Popular Name: (2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentan-2-amine (2R)-2-(3-cyclopropyl-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) 1.64 2.14 -43.73 3 4 1 67 196.274 4 ↓
Hi High (pH 8-9.5) 1.64 1.87 -6.53 2 4 0 65 195.266 4 ↓

Analogs

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Popular Name: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-ethane-1,2-diamine N-[(3-cyclopropyl-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 1.74 -124.07 4 5 2 71 198.27 5 ↓
Mid Mid (pH 6-8) -1.01 -0.6 -50.24 3 5 1 70 197.262 5 ↓

Analogs

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Popular Name: N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-propan-1-amine N-[(3-cyclopropyl-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) 1.06 3.69 -44.33 2 4 1 56 196.274 5 ↓

Analogs

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

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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) 1.96 4.2 -5.52 0 3 0 39 231.093 3 ↓

Analogs

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

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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) 1.96 4.2 -5.49 0 3 0 39 231.093 3 ↓

Analogs

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Popular Name: (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-formamido-propanoic (2R)-3-[(3-cyclopropyl-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) -2.18 3 -52.36 1 7 -1 108 270.29 7 ↓

Analogs

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Popular Name: (2S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-formamido-propanoic (2S)-3-[(3-cyclopropyl-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) -2.18 2.86 -53 1 7 -1 108 270.29 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) -0.40 2.09 -10.14 2 6 0 91 257.315 7 ↓
Lo Low (pH 4.5-6) -0.40 2.43 -47.26 3 6 1 93 258.323 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) -0.40 2.11 -10.25 2 6 0 91 257.315 7 ↓
Lo Low (pH 4.5-6) -0.40 2.43 -46.9 3 6 1 93 258.323 7 ↓

Analogs

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Popular Name: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-amine 4-(3-cyclopropyl-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) -0.09 1.83 -49.45 3 4 1 67 182.247 5 ↓

Analogs

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Popular Name: N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[(3-cyclopropyl-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) -0.03 3.61 -119.96 3 5 2 60 212.297 6 ↓
Hi High (pH 8-9.5) -0.03 2.15 -41.26 2 5 1 55 211.289 6 ↓
Mid Mid (pH 6-8) -0.03 1.27 -45.5 2 5 1 59 211.289 6 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methyl-amino]acetamide 2-[(3-cyclopropyl-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) -1.08 0.62 -48.42 3 6 1 86 211.245 5 ↓
Hi High (pH 8-9.5) -1.08 -1.69 -15.34 2 6 0 85 210.237 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methyl-amino]acetamide 2-[[(1S)-1-(3-cyclopropyl-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) -0.52 0.8 -44.65 3 6 1 86 225.272 5 ↓
Hi High (pH 8-9.5) -0.52 -1.43 -15.19 2 6 0 85 224.264 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methyl-amino]acetamide 2-[[(1R)-1-(3-cyclopropyl-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) -0.52 0.8 -44.64 3 6 1 86 225.272 5 ↓
Hi High (pH 8-9.5) -0.52 -1.43 -15.22 2 6 0 85 224.264 5 ↓

Analogs

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Popular Name: 2-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methyl-amino]-N-ethyl-acetamide 2-[[(1S)-1-(3-cyclopropyl-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) 0.73 3.12 -44.2 2 6 1 72 253.326 6 ↓
Hi High (pH 8-9.5) 0.73 0.89 -14.75 1 6 0 71 252.318 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methyl-amino]-N-ethyl-acetamide 2-[[(1R)-1-(3-cyclopropyl-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) 0.73 3.12 -44.19 2 6 1 72 253.326 6 ↓
Hi High (pH 8-9.5) 0.73 0.89 -14.75 1 6 0 71 252.318 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.47 2.34 -36.4 3 6 0 107 243.288 6 ↓
Hi High (pH 8-9.5) -2.47 2.03 -44.63 2 6 -1 105 242.28 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.47 2.33 -37.15 3 6 0 107 243.288 6 ↓
Hi High (pH 8-9.5) -2.47 1.99 -43.19 2 6 -1 105 242.28 6 ↓

Analogs

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Popular Name: (2S)-2-amino-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic (2S)-2-amino-4-[(3-cyclopropyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.20 3.12 -49.06 3 6 0 107 257.315 7 ↓
Hi High (pH 8-9.5) -2.20 2.8 -46.29 2 6 -1 105 256.307 7 ↓

Analogs

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Popular Name: (2R)-2-amino-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanoic (2R)-2-amino-4-[(3-cyclopropyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.20 3.14 -48.88 3 6 0 107 257.315 7 ↓
Hi High (pH 8-9.5) -2.20 2.81 -49.83 2 6 -1 105 256.307 7 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine 2-[(3-cyclopropyl-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) -0.32 1.62 -52.13 3 4 1 67 200.287 5 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]acetic 2-[(3-cyclopropyl-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) -1.72 2.34 -41.77 2 6 0 96 197.194 5 ↓
Hi High (pH 8-9.5) -1.72 0.99 -46.23 1 6 -1 91 196.186 5 ↓

Analogs

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Popular Name: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic 3-[(3-cyclopropyl-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) -0.54 2.9 -53.69 2 6 0 96 211.221 6 ↓
Hi High (pH 8-9.5) -0.54 1.54 -44.51 1 6 -1 91 210.213 6 ↓

Analogs

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Popular Name: (2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic (2S)-2-[(3-cyclopropyl-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) -1.94 2.87 -39.68 2 6 0 96 211.221 5 ↓
Hi High (pH 8-9.5) -1.94 1.61 -45.75 1 6 -1 91 210.213 5 ↓

Analogs

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Popular Name: (2R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic (2R)-2-[(3-cyclopropyl-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) -1.94 2.82 -39.86 2 6 0 96 211.221 5 ↓
Hi High (pH 8-9.5) -1.94 1.65 -48.05 1 6 -1 91 210.213 5 ↓

Analogs

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Popular Name: (2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-butanoic (2S)-2-[(3-cyclopropyl-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) -1.16 4.08 -35.73 2 6 0 96 239.275 6 ↓

Analogs

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Popular Name: (2R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-butanoic (2R)-2-[(3-cyclopropyl-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) -1.16 4.1 -33.15 2 6 0 96 239.275 6 ↓

Analogs

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Popular Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]butanoic 4-[(3-cyclopropyl-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) -0.27 3.7 -66.19 2 6 0 96 225.248 7 ↓

Analogs

44623203
44623203
44623206
44623206

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methyl-amino]acetic 2-[(3-cyclopropyl-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) -1.48 4.42 -37.79 1 6 0 83 211.221 5 ↓
Hi High (pH 8-9.5) -1.48 2.12 -46.69 0 6 -1 82 210.213 5 ↓

Analogs

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Popular Name: (2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methyl-pentanoic (2S)-2-[(3-cyclopropyl-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) -0.92 4.49 -37.34 2 6 0 96 253.302 7 ↓

Analogs

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Popular Name: (2R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methyl-pentanoic (2R)-2-[(3-cyclopropyl-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) -0.92 4.49 -37.45 2 6 0 96 253.302 7 ↓

Analogs

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Popular Name: (2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]pentanoic (2S)-2-[(3-cyclopropyl-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) -0.84 4.36 -33.72 2 6 0 96 239.275 7 ↓
Hi High (pH 8-9.5) -0.84 3.34 -44.5 1 6 -1 91 238.267 7 ↓

Analogs

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Popular Name: (2R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]pentanoic (2R)-2-[(3-cyclopropyl-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) -0.84 4.4 -34.43 2 6 0 96 239.275 7 ↓
Hi High (pH 8-9.5) -0.84 3.33 -47.96 1 6 -1 91 238.267 7 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-isopropyl-amino]acetic 2-[(3-cyclopropyl-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) -0.81 5.16 -34.67 1 6 0 83 239.275 6 ↓

Analogs

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Popular Name: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-isopropyl-amino]propanoic 3-[(3-cyclopropyl-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) 0.38 6.3 -44.79 1 6 0 83 253.302 7 ↓

Analogs

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Popular Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-isopropyl-amino]butanoic 4-[(3-cyclopropyl-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) 0.65 7.11 -57.88 1 6 0 83 267.329 8 ↓

Analogs

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Popular Name: 3-[tert-butyl-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic 3-[tert-butyl-[(3-cyclopropyl-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) 0.89 5.78 -43.81 1 6 0 83 267.329 7 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-1-methylpropyl]amino]acetic 2-[(3-cyclopropyl-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) -0.27 6.11 -36.42 1 6 0 83 253.302 7 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-[(1S)-1-methylpropyl]amino]acetic 2-[(3-cyclopropyl-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) -0.27 5.91 -36.65 1 6 0 83 253.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methyl-amino]propanoic 3-[(3-cyclopropyl-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) -0.30 5.05 -48.92 1 6 0 83 225.248 6 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-ethyl-amino]acetic 2-[(3-cyclopropyl-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) -1.10 4.84 -33.42 1 6 0 83 225.248 6 ↓
Hi High (pH 8-9.5) -1.10 2.8 -46.02 0 6 -1 82 224.24 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-ethyl-amino]propanoic 3-[(3-cyclopropyl-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) 0.08 5.39 -46.75 1 6 0 83 239.275 7 ↓

Analogs

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Popular Name: 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanol 2-[(3-cyclopropyl-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) 0.25 0.9 -8.42 1 4 0 59 200.263 5 ↓

Analogs

50031871
50031871
50032230
50032230
50032489
50032489
50032831
50032831
13595344
13595344

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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) 0.14 3.93 -51.31 2 6 1 82 240.283 8 ↓
Hi High (pH 8-9.5) 0.14 2.55 -9.27 1 6 0 77 239.275 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.10 6.17 -42.65 1 6 1 70 268.337 8 ↓
Mid Mid (pH 6-8) 1.10 4.86 -12.54 0 6 0 68 267.329 8 ↓

Parameters Provided:

ring.id = 15001
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 = 15001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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