UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,2-dimethyl-N-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-4-oxo-butyl]propanamide 2,2-dimethyl-N-[4-[4-(3-methyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 4.65 -16.79 1 7 0 88 336.436 6 ↓

Analogs

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Popular Name: 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-3-(2,2,2-trifluoroethoxy)propan-1-one 1-[4-(3-methyl-1,2,4-oxadiazol-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) 0.92 3.98 -13.09 0 6 0 68 321.299 6 ↓

Analogs

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Popular Name: 3-methyl-5-[1-[3-(2,2,2-trifluoroethoxy)propyl]-4-piperidyl]-1,2,4-oxadiazole 3-methyl-5-[1-[3-(2,2,2-trifluor…

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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) 1.60 5.61 -50.52 1 5 1 53 308.324 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) -0.28 3.42 -47.24 2 8 1 99 311.362 6 ↓
Mid Mid (pH 6-8) -0.28 1.25 -12.46 1 8 0 98 310.354 6 ↓

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 3.41 -47.26 2 8 1 99 311.362 6 ↓
Mid Mid (pH 6-8) -0.28 1.18 -12.19 1 8 0 98 310.354 6 ↓

Analogs

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Popular Name: (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-N-pentyl-propanamide (2R)-2-[4-(3-methyl-1,2,4-oxadia…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 5.63 -46.49 2 6 1 72 309.434 7 ↓
Hi High (pH 8-9.5) 1.80 3.41 -12.63 1 6 0 71 308.426 7 ↓

Analogs

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Popular Name: (2R)-N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]propanamide (2R)-N-(3-methoxypropyl)-2-[4-(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) 0.11 3.12 -47.6 2 7 1 82 311.406 7 ↓
Hi High (pH 8-9.5) 0.11 0.92 -13.27 1 7 0 80 310.398 7 ↓

Analogs

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Popular Name: (2S)-N,N-diethyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]propanamide (2S)-N,N-diethyl-2-[4-(3-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) 0.85 6.22 -44.77 1 6 1 64 295.407 5 ↓
Hi High (pH 8-9.5) 0.85 3.87 -12.07 0 6 0 62 294.399 5 ↓

Analogs

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Popular Name: 5-[1-(2-isopropoxyethyl)-4-piperidyl]-3-methyl-1,2,4-oxadiazole 5-[1-(2-isopropoxyethyl)-4-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 5.25 -42.48 1 5 1 53 254.354 5 ↓

Analogs

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Popular Name: N-[(1R)-1-methylhexyl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-[(1R)-1-methylhexyl]-2-[4-(3-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 7.04 -49.26 2 6 1 72 323.461 8 ↓
Hi High (pH 8-9.5) 2.81 4.85 -12.71 1 6 0 71 322.453 8 ↓

Analogs

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Popular Name: N-hexyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-hexyl-2-[4-(3-methyl-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) 2.48 6.02 -49.31 2 6 1 72 309.434 8 ↓
Hi High (pH 8-9.5) 2.48 3.84 -12.91 1 6 0 71 308.426 8 ↓

Analogs

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Popular Name: N,N-dibutyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N,N-dibutyl-2-[4-(3-methyl-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) 2.65 9 -49.16 1 6 1 64 337.488 9 ↓
Hi High (pH 8-9.5) 2.65 6.8 -12.46 0 6 0 62 336.48 9 ↓

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-[(1S)-1,2-dimethylpropyl]-2-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 4.96 -48.86 2 6 1 72 295.407 5 ↓
Hi High (pH 8-9.5) 1.48 3.05 -12.75 1 6 0 71 294.399 5 ↓

Analogs

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Popular Name: N,N-diethyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N,N-diethyl-2-[4-(3-methyl-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 5.92 -48.19 1 6 1 64 281.38 5 ↓
Hi High (pH 8-9.5) 0.52 3.72 -12.88 0 6 0 62 280.372 5 ↓

Analogs

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Popular Name: N-tert-butyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-tert-butyl-2-[4-(3-methyl-1,2,…

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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) 1.21 4.23 -48.19 2 6 1 72 281.38 4 ↓
Hi High (pH 8-9.5) 1.21 2.05 -12.01 1 6 0 71 280.372 4 ↓

Analogs

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Popular Name: N-isopropyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-isopropyl-2-[4-(3-methyl-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) 0.70 3.74 -48.59 2 6 1 72 267.353 4 ↓
Hi High (pH 8-9.5) 0.70 1.55 -12.97 1 6 0 71 266.345 4 ↓

Analogs

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Popular Name: N-allyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-allyl-2-[4-(3-methyl-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) 0.67 3.48 -48.87 2 6 1 72 265.337 5 ↓
Hi High (pH 8-9.5) 0.67 1.3 -12.76 1 6 0 71 264.329 5 ↓

Analogs

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

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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) -0.67 3.98 -49.08 1 6 1 64 253.326 3 ↓
Hi High (pH 8-9.5) -0.67 1.8 -13.54 0 6 0 62 252.318 3 ↓

Analogs

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Popular Name: N-(2-butoxyethyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-(2-butoxyethyl)-2-[4-(3-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) 1.45 4.56 -48.27 2 7 1 82 325.433 9 ↓
Hi High (pH 8-9.5) 1.45 2.38 -12.98 1 7 0 80 324.425 9 ↓

Analogs

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Popular Name: 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one 3-methyl-1-[4-(3-methyl-1,2,4-ox…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 4.85 -12.07 0 5 0 59 251.33 3 ↓

Analogs

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

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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) 1.37 4.59 -12.43 0 5 0 59 251.33 3 ↓

Analogs

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

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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) 1.37 4.65 -12.13 0 5 0 59 251.33 3 ↓

Analogs

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Popular Name: N,N-diethyl-2-[5-(4-methyl-4-piperidyl)-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-(4-methyl-4-pip…

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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) 1.43 5 -85.85 3 5 2 60 268.405 6 ↓
Hi High (pH 8-9.5) 1.43 2.85 -43.62 2 5 1 59 267.397 6 ↓

Analogs

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Popular Name: 3-isobutyl-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-isobutyl-5-(4-methyl-4-piperid…

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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) 1.77 3.71 -43.16 2 4 1 56 224.328 3 ↓

Analogs

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Popular Name: 3-isopropyl-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-isopropyl-5-(4-methyl-4-piperi…

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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) 1.51 2.79 -43.47 2 4 1 56 210.301 2 ↓

Analogs

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Popular Name: 3-ethyl-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-ethyl-5-(4-methyl-4-piperidyl)…

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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 2.34 -43.77 2 4 1 56 196.274 2 ↓

Analogs

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Popular Name: 3-tert-butyl-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-tert-butyl-5-(4-methyl-4-piper…

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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) 2.17 3.35 -43.35 2 4 1 56 224.328 2 ↓

Analogs

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Popular Name: 5-(4-methyl-4-piperidyl)-3-propyl-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-3-propy…

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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) 1.53 3.11 -43.56 2 4 1 56 210.301 3 ↓

Analogs

42412998
42412998

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Popular Name: 5-(4-methyl-4-piperidyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-3-(2,2,…

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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) 1.57 2.63 -46.64 2 4 1 56 250.244 3 ↓

Analogs

42436212
42436212

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Popular Name: 3-(2-methoxyethyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(2-methoxyethyl)-5-(4-methyl-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) 0.63 1.42 -45.01 2 5 1 65 226.3 4 ↓

Analogs

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Popular Name: 3-(methoxymethyl)-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-(methoxymethyl)-5-(4-methyl-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) 0.42 0.71 -44.71 2 5 1 65 212.273 3 ↓

Analogs

43373948
43373948

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Popular Name: 3-isopentyl-5-(4-methyl-4-piperidyl)-1,2,4-oxadiazole 3-isopentyl-5-(4-methyl-4-piperi…

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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) 2.30 4.4 -43.54 2 4 1 56 238.355 4 ↓

Analogs

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Popular Name: 5-(4-methyl-4-piperidyl)-3-(propoxymethyl)-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-3-(prop…

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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) 1.30 2.47 -44.17 2 5 1 65 240.327 5 ↓

Analogs

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Popular Name: 5-(4-methyl-4-piperidyl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-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) -0.16 -0.89 -56.98 2 6 1 90 260.339 3 ↓

Analogs

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Popular Name: 5-(4-methyl-4-piperidyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole 5-(4-methyl-4-piperidyl)-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) 0.96 2.78 -44.04 2 4 1 56 228.341 3 ↓

Analogs

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Popular Name: N,N-diethyl-2-[5-(4-propyl-4-piperidyl)-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-(4-propyl-4-pip…

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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) 2.31 7.09 -89.97 3 5 2 60 296.459 8 ↓
Hi High (pH 8-9.5) 2.31 4.97 -44.31 2 5 1 59 295.451 8 ↓

Analogs

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Popular Name: N,N-diethyl-2-[5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-(4-ethyl-4-pipe…

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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) 1.75 6.33 -89.36 3 5 2 60 282.432 7 ↓
Hi High (pH 8-9.5) 1.75 4.22 -43.99 2 5 1 59 281.424 7 ↓

Analogs

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Popular Name: 3-isobutyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-isobutyl-5-(4-propyl-4-piperid…

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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) 2.65 5.66 -43.72 2 4 1 56 252.382 5 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-piperidyl)-3-isobutyl-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-isobut…

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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) 2.09 4.91 -43.53 2 4 1 56 238.355 4 ↓

Analogs

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Popular Name: 3-isopropyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-isopropyl-5-(4-propyl-4-piperi…

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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) 2.39 4.87 -44.02 2 4 1 56 238.355 4 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-piperidyl)-3-isopropyl-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-isopro…

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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) 1.83 4.11 -43.75 2 4 1 56 224.328 3 ↓

Analogs

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Popular Name: 3-ethyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-ethyl-5-(4-propyl-4-piperidyl)…

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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) 1.91 4.43 -44.14 2 4 1 56 224.328 4 ↓

Analogs

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Popular Name: 3-ethyl-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-ethyl-5-(4-ethyl-4-piperidyl)-…

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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) 1.35 3.67 -43.97 2 4 1 56 210.301 3 ↓

Analogs

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Popular Name: 3-methyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-methyl-5-(4-propyl-4-piperidyl…

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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) 1.33 3.83 -44.39 2 4 1 56 210.301 3 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-piperidyl)-3-methyl-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-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) 0.77 3.07 -44.1 2 4 1 56 196.274 2 ↓

Analogs

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Popular Name: 3-tert-butyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-tert-butyl-5-(4-propyl-4-piper…

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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 5.45 -43.83 2 4 1 56 252.382 4 ↓

Analogs

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Popular Name: 3-tert-butyl-5-(4-ethyl-4-piperidyl)-1,2,4-oxadiazole 3-tert-butyl-5-(4-ethyl-4-piperi…

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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) 2.50 4.69 -43.56 2 4 1 56 238.355 3 ↓

Analogs

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Popular Name: 3-propyl-5-(4-propyl-4-piperidyl)-1,2,4-oxadiazole 3-propyl-5-(4-propyl-4-piperidyl…

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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) 2.41 5.2 -44.13 2 4 1 56 238.355 5 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-piperidyl)-3-propyl-1,2,4-oxadiazole 5-(4-ethyl-4-piperidyl)-3-propyl…

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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) 1.85 4.44 -43.75 2 4 1 56 224.328 4 ↓

Analogs

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Popular Name: 5-(4-propyl-4-piperidyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-(4-propyl-4-piperidyl)-3-(2,2,…

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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) 2.46 4.72 -47.56 2 4 1 56 278.298 5 ↓

Parameters Provided:

ring.id = 62524
filter.purchasability = annotated
page.format = targets
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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 = 62524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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