UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 0.28 5.49 -43.45 1 6 1 70 254.31 8 ↓
Hi High (pH 8-9.5) 0.28 3.18 -11.84 0 6 0 68 253.302 8 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-butan-1-amine N-[(5-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
Hi High (pH 8-9.5) 1.62 3.17 -6.21 0 4 0 42 209.293 6 ↓

Analogs

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Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethyl-amino]-N-isopropyl-acetamide 2-[(5-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) 0.84 4.24 -39.61 2 6 1 72 267.353 7 ↓
Hi High (pH 8-9.5) 0.84 2.26 -14.48 1 6 0 71 266.345 7 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine N-[(5-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) 0.16 0.69 -8.99 0 6 0 61 255.318 9 ↓
Mid Mid (pH 6-8) 0.16 3.2 -35.85 1 6 1 62 256.326 9 ↓

Analogs

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Popular Name: N-tert-butyl-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methyl-amino]acetamide N-tert-butyl-2-[(5-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) 0.98 3.8 -41.27 2 6 1 72 267.353 6 ↓
Mid Mid (pH 6-8) 0.98 1.58 -13.04 1 6 0 71 266.345 6 ↓

Analogs

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Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methyl-amino]-N,N-diethyl-acetamide 2-[(5-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) 0.29 5.5 -41.12 1 6 1 64 267.353 7 ↓
Mid Mid (pH 6-8) 0.29 3.26 -13.85 0 6 0 62 266.345 7 ↓

Analogs

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Popular Name: N-butyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine N-butyl-N-[(5-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) 3.06 7.93 -34.82 1 4 1 43 252.382 9 ↓
Hi High (pH 8-9.5) 3.06 5.42 -5.97 0 4 0 42 251.374 9 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-butan-1-amine N-[(5-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) 2.00 5.8 -34.07 1 4 1 43 224.328 7 ↓
Hi High (pH 8-9.5) 2.00 3.71 -6.11 0 4 0 42 223.32 7 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-isopropyl-pentan-1-amine N-[(5-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) 2.80 6.78 -34.09 1 4 1 43 252.382 8 ↓
Hi High (pH 8-9.5) 2.80 5.11 -5.66 0 4 0 42 251.374 8 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-isobutyl-2-methyl-propan-1-amine N-[(5-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) 2.43 7.73 -32.91 1 4 1 43 252.382 7 ↓
Hi High (pH 8-9.5) 2.43 5.92 -5.27 0 4 0 42 251.374 7 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine N-[(5-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) 0.43 3.86 -37.58 1 6 1 62 270.353 10 ↓
Mid Mid (pH 6-8) 0.43 1.85 -7.82 0 6 0 61 269.345 10 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-ethane-1,2-diamine N-[(5-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 -1.01 -48.33 3 5 1 70 197.262 5 ↓
Lo Low (pH 4.5-6) -1.01 1.3 -117.02 4 5 2 71 198.27 5 ↓

Analogs

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Popular Name: (2R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethyl-amino]-2-methyl-propanenitrile (2R)-3-[(5-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
Mid Mid (pH 6-8) 1.09 5.98 -45.17 1 5 1 67 235.311 6 ↓

Analogs

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

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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 3.58 -53.81 1 7 -1 108 284.317 7 ↓

Analogs

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

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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 3.47 -55.37 1 7 -1 108 284.317 7 ↓

Analogs

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Popular Name: (2R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-2-formamido-propanoic (2R)-3-[(5-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 2.84 -54.05 1 7 -1 108 270.29 7 ↓

Analogs

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Popular Name: (2S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-2-formamido-propanoic (2S)-3-[(5-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 2.83 -53.29 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 1.99 -9.7 2 6 0 91 257.315 7 ↓
Lo Low (pH 4.5-6) -0.40 2.33 -44.88 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 -9.83 2 6 0 91 257.315 7 ↓
Lo Low (pH 4.5-6) -0.40 2.33 -44.12 3 6 1 93 258.323 7 ↓

Analogs

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Popular Name: N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[(5-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 0.87 -43.53 2 5 1 59 211.289 6 ↓
Hi High (pH 8-9.5) -0.03 -0.58 -6.48 1 5 0 54 210.281 6 ↓
Lo Low (pH 4.5-6) -0.03 3.16 -112.7 3 5 2 60 212.297 6 ↓

Analogs

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Popular Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]hexanamide N-[(5-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) 1.87 4.71 -17.02 1 6 0 77 253.302 8 ↓

Analogs

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Popular Name: 2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide 2-[butyl-[(5-cyclopropyl-1,2,4-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) 0.36 2.15 -34.63 3 6 1 86 253.326 8 ↓
Hi High (pH 8-9.5) 0.36 -0.11 -9.1 2 6 0 85 252.318 8 ↓

Analogs

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Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic 2-[(5-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) 0.12 4.05 -47.81 0 5 -1 79 213.238 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic (2S)-2-[(5-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) 0.49 4.69 -48.93 0 5 -1 79 227.265 5 ↓

Analogs

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Popular Name: (2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic (2R)-2-[(5-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) 0.49 4.7 -49.38 0 5 -1 79 227.265 5 ↓

Analogs

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Popular Name: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic 3-[(5-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) 0.40 4.86 -45.5 0 5 -1 79 227.265 6 ↓

Analogs

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Popular Name: (2R)-2-amino-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic (2R)-2-amino-3-[(5-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 2.24 -35.82 3 6 0 107 243.288 6 ↓
Hi High (pH 8-9.5) -2.47 1.93 -45.91 2 6 -1 105 242.28 6 ↓

Analogs

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Popular Name: (2S)-2-amino-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic (2S)-2-amino-3-[(5-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 2.22 -36.01 3 6 0 107 243.288 6 ↓
Hi High (pH 8-9.5) -2.47 1.88 -44.56 2 6 -1 105 242.28 6 ↓

Analogs

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Popular Name: (2S)-2-amino-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic (2S)-2-amino-4-[(5-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 3.02 -47.23 3 6 0 107 257.315 7 ↓
Hi High (pH 8-9.5) -2.20 2.7 -46.98 2 6 -1 105 256.307 7 ↓

Analogs

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Popular Name: (2R)-2-amino-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic (2R)-2-amino-4-[(5-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 3.03 -47.48 3 6 0 107 257.315 7 ↓
Hi High (pH 8-9.5) -2.20 2.71 -50.2 2 6 -1 105 256.307 7 ↓

Analogs

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Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine 2-[(5-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 1.52 -50.08 3 4 1 67 200.287 5 ↓

Analogs

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Popular Name: 3-(azidomethyl)-5-cyclopropyl-1,2,4-oxadiazole 3-(azidomethyl)-5-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) 0.86 -1.27 -6.7 0 6 0 89 165.156 3 ↓

Analogs

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Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]acetic 2-[(5-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 2.28 -37.47 2 6 0 96 197.194 5 ↓
Hi High (pH 8-9.5) -1.72 0.94 -47.86 1 6 -1 91 196.186 5 ↓

Analogs

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Popular Name: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic 3-[(5-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 2.84 -49.26 2 6 0 96 211.221 6 ↓

Analogs

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Popular Name: (2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic (2S)-2-[(5-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 2.81 -35.56 2 6 0 96 211.221 5 ↓
Hi High (pH 8-9.5) -1.94 1.56 -47.15 1 6 -1 91 210.213 5 ↓

Analogs

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Popular Name: (2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic (2R)-2-[(5-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 2.75 -35.88 2 6 0 96 211.221 5 ↓
Hi High (pH 8-9.5) -1.94 1.6 -50.06 1 6 -1 91 210.213 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-3-methyl-butanoic (2S)-2-[(5-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 3.99 -32.5 2 6 0 96 239.275 6 ↓

Analogs

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Popular Name: (2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-3-methyl-butanoic (2R)-2-[(5-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 4.12 -33.17 2 6 0 96 239.275 6 ↓

Analogs

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Popular Name: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic 4-[(5-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 3.64 -60.65 2 6 0 96 225.248 7 ↓

Analogs

44623191
44623191
44623194
44623194

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methyl-amino]acetic 2-[(5-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 3.98 -33.74 1 6 0 83 211.221 5 ↓
Hi High (pH 8-9.5) -1.48 1.75 -47.78 0 6 -1 82 210.213 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methyl-pentanoic (2S)-2-[(5-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 4.42 -33.52 2 6 0 96 253.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methyl-pentanoic (2R)-2-[(5-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 4.42 -33.53 2 6 0 96 253.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic (2S)-2-[(5-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 4.29 -31.2 2 6 0 96 239.275 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic (2R)-2-[(5-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 4.34 -33.2 2 6 0 96 239.275 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-isopropyl-amino]acetic 2-[(5-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 4.76 -30.65 1 6 0 83 239.275 6 ↓

Analogs

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Popular Name: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-isopropyl-amino]propanoic 3-[(5-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 5.27 -41.22 1 6 0 83 253.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-isopropyl-amino]butanoic 4-[(5-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 6.08 -52.86 1 6 0 83 267.329 8 ↓
Hi High (pH 8-9.5) 0.65 4.27 -49.14 0 6 -1 82 266.321 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic 3-[tert-butyl-[(5-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 6.84 -41.35 1 6 0 83 267.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-[(1R)-1-methylpropyl]amino]acetic 2-[(5-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 5.88 -35.69 1 6 0 83 253.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-[(1S)-1-methylpropyl]amino]acetic 2-[(5-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 -32.75 1 6 0 83 253.302 7 ↓

Parameters Provided:

ring.id = 9852
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 = 9852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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