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

19270294
19270294
19407579
19407579

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-1-(azetidin-1-yl)ethanone 2-(4-amino-1-piperidyl)-1-(azeti…

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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 0.64 -46.86 3 4 1 51 198.29 2 ↓
Lo Low (pH 4.5-6) -0.91 2.84 -105.21 4 4 2 52 199.298 2 ↓

Analogs

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Popular Name: 1-[2-(azetidin-1-yl)-2-oxo-ethyl]-4-methyl-piperidine-4-carboxylic 1-[2-(azetidin-1-yl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.09 6.32 -63.9 1 5 0 65 240.303 3 ↓
Hi High (pH 8-9.5) 0.09 4.15 -57.71 0 5 -1 64 239.295 3 ↓

Analogs

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Popular Name: 1-[2-(azetidin-1-yl)-2-oxo-ethyl]-4-ethyl-piperidine-4-carboxylic 1-[2-(azetidin-1-yl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.42 6.81 -63.24 1 5 0 65 254.33 4 ↓
Hi High (pH 8-9.5) 0.42 4.63 -57.2 0 5 -1 64 253.322 4 ↓

Analogs

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Popular Name: 1-[2-(azetidin-1-yl)-2-oxo-ethyl]-4-propyl-piperidine-4-carboxylic 1-[2-(azetidin-1-yl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 7.56 -63.68 1 5 0 65 268.357 5 ↓
Hi High (pH 8-9.5) 0.98 5.39 -57.75 0 5 -1 64 267.349 5 ↓

Analogs

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Popular Name: (3S)-1-[2-(azetidin-1-yl)-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(azetidin-1-yl)-2-oxo-…

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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 6.52 -46.41 1 5 0 65 240.303 3 ↓
Hi High (pH 8-9.5) 0.09 4.72 -49.83 0 5 -1 64 239.295 3 ↓

Analogs

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Popular Name: (3R)-1-[2-(azetidin-1-yl)-2-oxo-ethyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-(azetidin-1-yl)-2-oxo-…

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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 6.49 -45.75 1 5 0 65 240.303 3 ↓
Hi High (pH 8-9.5) 0.09 4.69 -49.59 0 5 -1 64 239.295 3 ↓

Analogs

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Popular Name: (3S)-1-[2-(azetidin-1-yl)-2-oxo-ethyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[2-(azetidin-1-yl)-2-oxo-…

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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 7.05 -44.58 1 5 0 65 254.33 4 ↓
Hi High (pH 8-9.5) 0.42 5.53 -57.46 0 5 -1 64 253.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(azetidin-1-yl)-2-oxo-ethyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[2-(azetidin-1-yl)-2-oxo-…

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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 7.11 -45.08 1 5 0 65 254.33 4 ↓
Hi High (pH 8-9.5) 0.42 5.52 -58.97 0 5 -1 64 253.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(azetidin-1-yl)-2-oxo-ethyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[2-(azetidin-1-yl)-2-oxo-…

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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 7.76 -45.24 1 5 0 65 268.357 5 ↓
Hi High (pH 8-9.5) 0.98 5.97 -49.42 0 5 -1 64 267.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(azetidin-1-yl)-2-oxo-ethyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[2-(azetidin-1-yl)-2-oxo-…

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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 7.88 -45.03 1 5 0 65 268.357 5 ↓
Hi High (pH 8-9.5) 0.98 6.29 -59.44 0 5 -1 64 267.349 5 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 7.02 -37.56 1 5 1 51 255.338 5 ↓
Mid Mid (pH 6-8) 0.84 4.85 -10.06 0 5 0 50 254.33 5 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 7.02 -37.48 1 5 1 51 255.338 5 ↓
Mid Mid (pH 6-8) 0.84 4.85 -10 0 5 0 50 254.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-1-yl)-2-[(3S)-3-hydroxy-1-piperidyl]ethanone 1-(azetidin-1-yl)-2-[(3S)-3-hydr…

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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 2.14 -35.11 2 4 1 45 199.274 2 ↓
Hi High (pH 8-9.5) -0.42 -0.03 -9.55 1 4 0 44 198.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-1-yl)-2-[(3R)-3-hydroxy-1-piperidyl]ethanone 1-(azetidin-1-yl)-2-[(3R)-3-hydr…

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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 2.14 -35.16 2 4 1 45 199.274 2 ↓
Hi High (pH 8-9.5) -0.42 -0.03 -9.62 1 4 0 44 198.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,4R)-3-amino-4-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3R,4R)-3-amino-4-methyl-1-pi…

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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 1.83 -42.2 3 4 1 51 212.317 2 ↓
Lo Low (pH 4.5-6) -0.43 3.41 -34.77 3 4 1 51 212.317 2 ↓
Lo Low (pH 4.5-6) -0.43 3.77 -115.24 4 4 2 52 213.325 2 ↓

Analogs

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Popular Name: 2-[(3R,4S)-3-amino-4-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3R,4S)-3-amino-4-methyl-1-pi…

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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 1.2 -50.61 3 4 1 51 212.317 2 ↓
Lo Low (pH 4.5-6) -0.43 3.07 -34.7 3 4 1 51 212.317 2 ↓
Lo Low (pH 4.5-6) -0.43 3.37 -117.06 4 4 2 52 213.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-(2-aminoethyl)-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S)-2-(2-aminoethyl)-1-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) -0.20 2.37 -50.04 3 4 1 51 226.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(2-aminoethyl)-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2R)-2-(2-aminoethyl)-1-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) -0.20 1.93 -55.27 3 4 1 51 226.344 4 ↓

Analogs

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Popular Name: 2-[(2R,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2R,6R)-2-(aminomethyl)-6-met…

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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 2.1 -48.65 3 4 1 51 226.344 3 ↓
Lo Low (pH 4.5-6) -0.14 3.57 -109.11 4 4 2 52 227.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2R,6S)-2-(aminomethyl)-6-met…

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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 2.29 -46.46 3 4 1 51 226.344 3 ↓
Lo Low (pH 4.5-6) -0.14 3.9 -118.16 4 4 2 52 227.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,6R)-2-(aminomethyl)-6-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S,6R)-2-(aminomethyl)-6-met…

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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 2.12 -46.89 3 4 1 51 226.344 3 ↓
Lo Low (pH 4.5-6) -0.14 3.9 -118.13 4 4 2 52 227.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,6S)-2-(aminomethyl)-6-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S,6S)-2-(aminomethyl)-6-met…

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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 1.98 -49.09 3 4 1 51 226.344 3 ↓
Lo Low (pH 4.5-6) -0.14 3.57 -109.44 4 4 2 52 227.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(2-aminoethyl)-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3R)-3-(2-aminoethyl)-1-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) -0.33 4.1 -99.5 4 4 2 52 227.352 4 ↓
Hi High (pH 8-9.5) -0.33 1.92 -51.54 3 4 1 51 226.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(2-aminoethyl)-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3S)-3-(2-aminoethyl)-1-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) -0.33 4.1 -99.52 4 4 2 52 227.352 4 ↓
Hi High (pH 8-9.5) -0.33 1.92 -51.53 3 4 1 51 226.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-[(1S)-1-aminoethyl]-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3R)-3-[(1S)-1-aminoethyl]-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) -0.20 1.85 -51.75 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-[(1R)-1-aminoethyl]-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3R)-3-[(1R)-1-aminoethyl]-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) -0.20 1.95 -52.37 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-[(1S)-1-aminoethyl]-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3S)-3-[(1S)-1-aminoethyl]-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) -0.20 1.96 -52.17 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-[(1R)-1-aminoethyl]-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3S)-3-[(1R)-1-aminoethyl]-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) -0.20 1.85 -51.69 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[(2S,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S,3R)-2-(aminomethyl)-3-met…

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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 2.14 -56.55 3 4 1 51 226.344 3 ↓
Lo Low (pH 4.5-6) -0.23 3.82 -121.35 4 4 2 52 227.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3S)-2-(aminomethyl)-3-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S,3S)-2-(aminomethyl)-3-met…

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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 2.38 -46.15 3 4 1 51 226.344 3 ↓
Lo Low (pH 4.5-6) -0.23 4.14 -119.31 4 4 2 52 227.352 3 ↓

Analogs

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Popular Name: 2-[(2R,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2R,5R)-5-(aminomethyl)-2-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.27 1.59 -45.08 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[(2S,5R)-5-(aminomethyl)-2-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S,5R)-5-(aminomethyl)-2-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.27 1.94 -45.77 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[(2R,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2R,5S)-5-(aminomethyl)-2-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.27 1.94 -45.67 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[(2S,5S)-5-(aminomethyl)-2-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S,5S)-5-(aminomethyl)-2-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.27 1.6 -45.03 3 4 1 51 226.344 3 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[4-(2-aminoethyl)-1-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) -0.14 4.21 -95.61 4 4 2 52 227.352 4 ↓
Hi High (pH 8-9.5) -0.14 2.02 -50.09 3 4 1 51 226.344 4 ↓

Analogs

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Popular Name: 1-(azetidin-1-yl)-2-[4-[2-(methylamino)ethyl]-1-piperidyl]ethanone 1-(azetidin-1-yl)-2-[4-[2-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 6.01 -91.64 3 4 2 41 241.379 5 ↓
Hi High (pH 8-9.5) 0.84 3.83 -45.3 2 4 1 40 240.371 5 ↓

Analogs

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Popular Name: 1-(azetidin-1-yl)-2-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]ethanone 1-(azetidin-1-yl)-2-[(2S)-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) 0.78 4.39 -45.47 2 4 1 40 240.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-1-yl)-2-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]ethanone 1-(azetidin-1-yl)-2-[(2R)-2-[2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.78 3.79 -50.55 2 4 1 40 240.371 5 ↓

Parameters Provided:

ring.id = 110439
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 = 110439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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