UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48332790
48332790

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Popular Name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine 1-[(5-methyl-1,3,4-oxadiazol-2-y…

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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) -1.95 -1.58 -39.49 3 5 1 69 197.262 2 ↓
Lo Low (pH 4.5-6) -1.95 -1.25 -111.18 4 5 2 71 198.27 2 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine 1-[(5-ethyl-1,3,4-oxadiazol-2-yl…

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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) -1.38 -0.82 -39.2 3 5 1 69 211.289 3 ↓
Lo Low (pH 4.5-6) -1.38 -0.5 -111.16 4 5 2 71 212.297 3 ↓

Analogs

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Popular Name: 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine 1-[(5-tert-butyl-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) -0.23 0.32 -38.61 3 5 1 69 239.343 3 ↓
Lo Low (pH 4.5-6) -0.23 0.65 -110.89 4 5 2 71 240.351 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 0.21 -46.85 3 9 1 111 368.458 8 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 0.02 -46.98 3 9 1 111 368.458 8 ↓

Analogs

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Popular Name: 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(5-tert-butyl-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) 0.77 4.22 -63.13 1 6 0 83 281.356 4 ↓

Analogs

42717129
42717129

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Popular Name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(5-ethyl-1,3,4-oxadiazol-2-yl…

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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 2.87 -64.28 1 6 0 83 253.302 4 ↓

Analogs

42717130
42717130

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Popular Name: 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylic 4-methyl-1-[(5-methyl-1,3,4-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) -0.96 2.31 -64.24 1 6 0 83 239.275 3 ↓

Analogs

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Popular Name: 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-4-ethyl-piperidine-4-carboxylic 1-[(5-tert-butyl-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) 1.10 4.69 -62.57 1 6 0 83 295.383 5 ↓

Analogs

42717129
42717129

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Popular Name: 4-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(5-ethyl-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) -0.05 3.6 -64.67 1 6 0 83 267.329 5 ↓

Analogs

42717130
42717130

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(5-methyl-1,3,4-oxadi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.62 2.79 -63.8 1 6 0 83 253.302 4 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-propyl-piperidine-4-carboxylic 1-[(5-ethyl-1,3,4-oxadiazol-2-yl…

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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 4.3 -63.64 1 6 0 83 281.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propyl-piperidine-4-carboxylic 1-[(5-methyl-1,3,4-oxadiazol-2-y…

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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) -0.06 3.55 -64.05 1 6 0 83 267.329 5 ↓

Analogs

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Popular Name: (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,3,4-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) 0.77 4.4 -47.76 1 6 0 83 281.356 4 ↓
Hi High (pH 8-9.5) 0.77 2.52 -46.35 0 6 -1 82 280.348 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,3,4-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) 0.77 4.19 -48.3 1 6 0 83 281.356 4 ↓
Hi High (pH 8-9.5) 0.77 2.33 -47.38 0 6 -1 82 280.348 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(5-ethyl-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) -0.38 3.06 -49.89 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) -0.38 1.2 -47.73 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-ethyl-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) -0.38 3.24 -48.04 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) -0.38 1.35 -46.22 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(5-methyl-1,3,4…

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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) -0.96 2.31 -50.35 1 6 0 83 239.275 3 ↓
Hi High (pH 8-9.5) -0.96 0.44 -48.32 0 6 -1 82 238.267 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(5-methyl-1,3,4…

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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) -0.96 2.48 -48.51 1 6 0 83 239.275 3 ↓
Hi High (pH 8-9.5) -0.96 0.59 -46.73 0 6 -1 82 238.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,3,4-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) 1.10 4.76 -44.49 1 6 0 83 295.383 5 ↓
Hi High (pH 8-9.5) 1.10 3.17 -53.65 0 6 -1 82 294.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,3,4-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) 1.10 4.65 -46.91 1 6 0 83 295.383 5 ↓
Hi High (pH 8-9.5) 1.10 2.79 -46.36 0 6 -1 82 294.375 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(5-ethyl-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) -0.05 3.79 -43.76 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) -0.05 1.72 -51.67 0 6 -1 82 266.321 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(5-ethyl-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) -0.05 3.66 -46.18 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) -0.05 2.01 -55.32 0 6 -1 82 266.321 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(5-methyl-1,3,4-…

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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) -0.62 2.85 -45.79 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) -0.62 1.27 -53.99 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(5-methyl-1,3,4-…

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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) -0.62 2.74 -48.41 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) -0.62 0.89 -47.07 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(5-ethyl-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) 0.51 4.5 -47.77 1 6 0 83 281.356 6 ↓
Hi High (pH 8-9.5) 0.51 2.63 -46.12 0 6 -1 82 280.348 6 ↓

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(5-ethyl-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) 0.51 4.62 -40.32 1 6 0 83 281.356 6 ↓
Hi High (pH 8-9.5) 0.51 2.95 -50.5 0 6 -1 82 280.348 6 ↓

Analogs

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Popular Name: (3S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(5-methyl-1,3,4-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) -0.06 3.75 -48.31 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) -0.06 1.87 -46.63 0 6 -1 82 266.321 5 ↓

Analogs

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Popular Name: (3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(5-methyl-1,3,4-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) -0.06 3.86 -40.78 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) -0.06 2.19 -50.99 0 6 -1 82 266.321 5 ↓

Analogs

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Popular Name: (3R,6S)-N-butyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-N-butyl-1-[(5-ethyl-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) 1.00 3.22 -40.68 2 6 1 72 309.434 7 ↓

Analogs

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Popular Name: (3S,6S)-N-butyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-N-butyl-1-[(5-ethyl-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) 1.00 3.03 -40.96 2 6 1 72 309.434 7 ↓

Analogs

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Popular Name: (3R,6R)-N-butyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-N-butyl-1-[(5-ethyl-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) 1.00 3.23 -43.78 2 6 1 72 309.434 7 ↓

Analogs

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Popular Name: (3S,6R)-N-butyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-N-butyl-1-[(5-ethyl-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) 1.00 3.42 -37.31 2 6 1 72 309.434 7 ↓

Analogs

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Popular Name: (3S,4S)-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine (3S,4S)-4-methyl-1-[(5-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) -1.48 -0.72 -40.44 3 5 1 69 211.289 2 ↓
Lo Low (pH 4.5-6) -1.48 -0.44 -120.31 4 5 2 71 212.297 2 ↓

Analogs

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Popular Name: (3S,4R)-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine (3S,4R)-4-methyl-1-[(5-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) -1.48 -0.93 -40.04 3 5 1 69 211.289 2 ↓
Lo Low (pH 4.5-6) -1.48 -0.63 -122.08 4 5 2 71 212.297 2 ↓

Analogs

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Popular Name: (3S,4S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-piperidin-3-amine (3S,4S)-1-[(5-ethyl-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) -0.91 0.04 -40.24 3 5 1 69 225.316 3 ↓
Lo Low (pH 4.5-6) -0.91 0.32 -120.44 4 5 2 71 226.324 3 ↓

Analogs

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Popular Name: (3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methyl-piperidin-3-amine (3S,4R)-1-[(5-ethyl-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) -0.91 -0.17 -39.69 3 5 1 69 225.316 3 ↓
Lo Low (pH 4.5-6) -0.91 0.12 -122.05 4 5 2 71 226.324 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.25 -2.42 -51.78 3 5 1 70 225.316 4 ↓
Mid Mid (pH 6-8) -1.25 -0.25 -111.2 4 5 2 71 226.324 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.25 -1.76 -52.15 3 5 1 70 225.316 4 ↓
Mid Mid (pH 6-8) -1.25 -0.05 -113.81 4 5 2 71 226.324 4 ↓

Analogs

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Popular Name: [(2R,6R)-6-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidyl]methanamine [(2R,6R)-6-methyl-1-[(5-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) -1.19 -0.46 -118.6 4 5 2 71 226.324 3 ↓
Mid Mid (pH 6-8) -1.19 -0.55 -30.95 3 5 1 69 225.316 3 ↓
Mid Mid (pH 6-8) -1.19 -1.86 -52.19 3 5 1 70 225.316 3 ↓

Analogs

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Popular Name: [(2R,6S)-6-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidyl]methanamine [(2R,6S)-6-methyl-1-[(5-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) -1.19 -0.33 -118.54 4 5 2 71 226.324 3 ↓
Mid Mid (pH 6-8) -1.19 -2.1 -45.42 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) -1.19 -0.78 -32.07 3 5 1 69 225.316 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.37 0.1 -103.78 4 5 2 71 226.324 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.37 -0.1 -102.99 4 5 2 71 226.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidyl]methanamine [(2R,3S)-3-methyl-1-[(5-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) -1.28 -0.39 -122.3 4 5 2 71 226.324 3 ↓
Mid Mid (pH 6-8) -1.28 -2.23 -54.01 3 5 1 70 225.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidyl]methanamine [(2R,3R)-3-methyl-1-[(5-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) -1.28 -0.05 -120.25 4 5 2 71 226.324 3 ↓
Mid Mid (pH 6-8) -1.28 -1.88 -44.69 3 5 1 70 225.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,6S)-6-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidyl]methanamine [(3S,6S)-6-methyl-1-[(5-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) -1.31 -2.5 -46.2 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) -1.31 -0.36 -102.03 4 5 2 71 226.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,6S)-6-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidyl]methanamine [(3R,6S)-6-methyl-1-[(5-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) -1.31 -2.44 -49.53 3 5 1 70 225.316 3 ↓
Mid Mid (pH 6-8) -1.31 -0.24 -105.62 4 5 2 71 226.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-piperidyl]ethanamine 2-[1-[(5-methyl-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) -1.19 -0.07 -100.27 4 5 2 71 226.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[(5-isopropyl-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) -0.33 0.14 -37.25 3 6 1 86 267.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[(5-isopropyl-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) -0.33 -0.24 -40.79 3 6 1 86 267.353 4 ↓

Parameters Provided:

ring.id = 110155
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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