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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-4-ethyl-4-methyl-piperidine 1-(azetidin-3-yl)-4-ethyl-4-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) 1.87 5.24 -112.23 3 2 2 21 184.327 2 ↓
Hi High (pH 8-9.5) 1.87 1.37 -0.74 1 2 0 15 182.311 2 ↓
Hi High (pH 8-9.5) 1.87 3.05 -36.4 2 2 1 20 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-4,4-diethyl-piperidine 1-(azetidin-3-yl)-4,4-diethyl-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) 2.21 5.71 -113.5 3 2 2 21 198.354 3 ↓
Hi High (pH 8-9.5) 2.21 1.56 -0.78 1 2 0 15 196.338 3 ↓
Hi High (pH 8-9.5) 2.21 3.23 -37.23 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)piperidine-4-carboxamide sesquioxalate 1-(azetidin-3-yl)piperidine-4-ca…

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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 -1.98 -47.39 4 4 1 63 184.263 2 ↓
Hi High (pH 8-9.5) -0.52 -3.65 -8.08 3 4 0 58 183.255 2 ↓
Mid Mid (pH 6-8) -0.52 0.52 -121.02 5 4 2 64 185.271 2 ↓

Analogs

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Popular Name: (3S,5R)-1-(azetidin-3-yl)-3,5-dimethyl-piperidine (3S,5R)-1-(azetidin-3-yl)-3,5-di…

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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 5.03 -111.14 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.60 2.55 -36.99 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.60 0.88 -0.83 1 2 0 15 168.284 1 ↓

Analogs

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Popular Name: (3S,5S)-1-(azetidin-3-yl)-3,5-dimethyl-piperidine (3S,5S)-1-(azetidin-3-yl)-3,5-di…

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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 5.03 -110.21 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.60 3.19 -36.8 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.60 1.51 -0.71 1 2 0 15 168.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-1-(azetidin-3-yl)-3,5-dimethyl-piperidine (3R,5R)-1-(azetidin-3-yl)-3,5-di…

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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 5.03 -110.19 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.60 3.2 -36.77 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.60 1.52 -0.71 1 2 0 15 168.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-4-methyl-piperidine 1-(azetidin-3-yl)-4-methyl-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) 1.12 4.45 -109.72 3 2 2 21 156.273 1 ↓
Hi High (pH 8-9.5) 1.12 2.26 -36.37 2 2 1 20 155.265 1 ↓
Hi High (pH 8-9.5) 1.12 0.57 -1.25 1 2 0 15 154.257 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(azetidin-3-yl)-3-methyl-piperidine (3R)-1-(azetidin-3-yl)-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) 1.12 4.43 -109.56 3 2 2 21 156.273 1 ↓
Hi High (pH 8-9.5) 1.12 0.57 -0.96 1 2 0 15 154.257 1 ↓
Mid Mid (pH 6-8) 1.12 2.76 -30.59 2 2 1 16 155.265 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(azetidin-3-yl)-3-methyl-piperidine (3S)-1-(azetidin-3-yl)-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) 1.12 4.43 -109.51 3 2 2 21 156.273 1 ↓
Hi High (pH 8-9.5) 1.12 0.3 -1 1 2 0 15 154.257 1 ↓
Mid Mid (pH 6-8) 1.12 2.76 -30.59 2 2 1 16 155.265 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(azetidin-3-yl)piperidine-3-carboxamide (3S)-1-(azetidin-3-yl)piperidine…

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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 -2.01 -41.58 4 4 1 63 184.263 2 ↓
Hi High (pH 8-9.5) -0.52 -3.69 -7.63 3 4 0 58 183.255 2 ↓
Mid Mid (pH 6-8) -0.52 0.47 -114.17 5 4 2 64 185.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(azetidin-3-yl)piperidine-3-carboxamide (3R)-1-(azetidin-3-yl)piperidine…

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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 -1.71 -41.66 4 4 1 63 184.263 2 ↓
Hi High (pH 8-9.5) -0.52 -3.39 -7.88 3 4 0 58 183.255 2 ↓
Mid Mid (pH 6-8) -0.52 0.47 -114.79 5 4 2 64 185.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(azetidin-3-yl)-2-ethyl-piperidine (2R)-1-(azetidin-3-yl)-2-ethyl-p…

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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 4.68 -108.99 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.75 0.91 -1.2 1 2 0 15 168.284 2 ↓
Mid Mid (pH 6-8) 1.75 2.61 -37.08 2 2 1 20 169.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(azetidin-3-yl)-2-ethyl-piperidine (2S)-1-(azetidin-3-yl)-2-ethyl-p…

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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 4.7 -109.05 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.75 0.94 -0.93 1 2 0 15 168.284 2 ↓
Mid Mid (pH 6-8) 1.75 3.01 -29.32 2 2 1 16 169.292 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-methoxypiperidine dihydrochloride 1-(azetidin-3-yl)-4-methoxypiper…

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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 0.67 -39.02 2 3 1 29 171.264 2 ↓
Hi High (pH 8-9.5) -0.38 -1.02 -2.71 1 3 0 24 170.256 2 ↓
Mid Mid (pH 6-8) -0.38 2.85 -113.11 3 3 2 30 172.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(azetidin-3-yl)-3-ethyl-piperidine (3R)-1-(azetidin-3-yl)-3-ethyl-p…

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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) 1.63 5.09 -110.78 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.63 0.93 -1.08 1 2 0 15 168.284 2 ↓
Mid Mid (pH 6-8) 1.63 3.4 -31.27 2 2 1 16 169.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(azetidin-3-yl)-3-ethyl-piperidine (3S)-1-(azetidin-3-yl)-3-ethyl-p…

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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) 1.63 5.09 -110.74 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.63 0.94 -0.94 1 2 0 15 168.284 2 ↓
Mid Mid (pH 6-8) 1.63 3.42 -31.16 2 2 1 16 169.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-N,N-dimethyl-piperidin-4-amine 1-(azetidin-3-yl)-N,N-dimethyl-p…

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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 0.72 -32.9 2 3 1 20 184.307 2 ↓
Mid Mid (pH 6-8) 0.40 0.97 -33.47 2 3 1 20 184.307 2 ↓
Mid Mid (pH 6-8) 0.40 2.66 -82.15 3 3 2 24 185.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-4-ethoxy-piperidine 1-(azetidin-3-yl)-4-ethoxy-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) -0.01 1.64 -38.94 2 3 1 29 185.291 3 ↓
Hi High (pH 8-9.5) -0.01 -0.03 -2.16 1 3 0 24 184.283 3 ↓
Mid Mid (pH 6-8) -0.01 3.82 -113.31 3 3 2 30 186.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-4-ethyl-piperidine 1-(azetidin-3-yl)-4-ethyl-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) 1.81 5.12 -110.54 3 2 2 21 170.3 2 ↓
Hi High (pH 8-9.5) 1.81 2.93 -36.36 2 2 1 20 169.292 2 ↓
Hi High (pH 8-9.5) 1.81 1.26 -0.88 1 2 0 15 168.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-N-methyl-piperidine-4-carboxamide 1-(azetidin-3-yl)-N-methyl-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) -0.14 -0.47 -45.77 3 4 1 49 198.29 2 ↓
Hi High (pH 8-9.5) -0.14 -2.14 -8 2 4 0 44 197.282 2 ↓
Mid Mid (pH 6-8) -0.14 2.02 -122.02 4 4 2 50 199.298 2 ↓

Analogs

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Popular Name: 1-[1-(azetidin-3-yl)-4-piperidyl]-N,N-dimethyl-methanamine 1-[1-(azetidin-3-yl)-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) 0.78 5.81 -180.24 4 3 3 25 200.35 3 ↓
Hi High (pH 8-9.5) 0.78 1.95 -35.01 2 3 1 20 198.334 3 ↓
Hi High (pH 8-9.5) 0.78 3.62 -80.55 3 3 2 24 199.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(azetidin-3-yl)piperidine-2-carboxamide (2S)-1-(azetidin-3-yl)piperidine…

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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 -1.54 -33.8 4 4 1 60 184.263 2 ↓
Hi High (pH 8-9.5) 0.16 -3.63 -8.41 3 4 0 58 183.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(azetidin-3-yl)piperidine-2-carboxamide (2R)-1-(azetidin-3-yl)piperidine…

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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 -1.65 -33.74 4 4 1 60 184.263 2 ↓
Hi High (pH 8-9.5) 0.16 -3.66 -8.43 3 4 0 58 183.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(azetidin-3-yl)-N-methyl-piperidine-2-carboxamide (2S)-1-(azetidin-3-yl)-N-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) -0.02 -0.15 -31.87 3 4 1 46 198.29 2 ↓
Hi High (pH 8-9.5) -0.02 -2.21 -7.62 2 4 0 44 197.282 2 ↓

Analogs

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Popular Name: (2R)-1-(azetidin-3-yl)-N-methyl-piperidine-2-carboxamide (2R)-1-(azetidin-3-yl)-N-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) -0.02 -0.17 -33.51 3 4 1 46 198.29 2 ↓
Hi High (pH 8-9.5) -0.02 -2.19 -8.7 2 4 0 44 197.282 2 ↓

Analogs

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Popular Name: (3R)-1-(azetidin-3-yl)-3-propoxy-piperidine (3R)-1-(azetidin-3-yl)-3-propoxy…

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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) 1.23 2.11 -38.64 2 3 1 29 199.318 4 ↓
Hi High (pH 8-9.5) 1.23 0.43 -1.96 1 3 0 24 198.31 4 ↓
Mid Mid (pH 6-8) 1.23 4.59 -112.42 3 3 2 30 200.326 4 ↓

Analogs

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Popular Name: (3S)-1-(azetidin-3-yl)-3-propoxy-piperidine (3S)-1-(azetidin-3-yl)-3-propoxy…

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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) 1.23 2.12 -38.61 2 3 1 29 199.318 4 ↓
Hi High (pH 8-9.5) 1.23 0.44 -1.98 1 3 0 24 198.31 4 ↓
Mid Mid (pH 6-8) 1.23 4.59 -112.4 3 3 2 30 200.326 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(azetidin-3-yl)-3-ethoxy-piperidine (3R)-1-(azetidin-3-yl)-3-ethoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.73 1.62 -38.54 2 3 1 29 185.291 3 ↓
Hi High (pH 8-9.5) 0.73 -0.06 -2.15 1 3 0 24 184.283 3 ↓
Mid Mid (pH 6-8) 0.73 3.8 -112.27 3 3 2 30 186.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(azetidin-3-yl)-3-ethoxy-piperidine (3S)-1-(azetidin-3-yl)-3-ethoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.73 1.33 -38.69 2 3 1 29 185.291 3 ↓
Hi High (pH 8-9.5) 0.73 -0.35 -2.11 1 3 0 24 184.283 3 ↓
Mid Mid (pH 6-8) 0.73 3.8 -112.12 3 3 2 30 186.299 3 ↓

Analogs

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Popular Name: (3S,6R)-1-(azetidin-3-yl)-6-methyl-piperidine-3-carboxamide (3S,6R)-1-(azetidin-3-yl)-6-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) -0.19 -0.77 -39.41 4 4 1 63 198.29 2 ↓
Hi High (pH 8-9.5) -0.19 -2.43 -7.64 3 4 0 58 197.282 2 ↓
Mid Mid (pH 6-8) -0.19 0.84 -104.68 5 4 2 64 199.298 2 ↓

Analogs

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Popular Name: (3S,6S)-1-(azetidin-3-yl)-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(azetidin-3-yl)-6-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) -0.19 -1.41 -40.92 4 4 1 63 198.29 2 ↓
Hi High (pH 8-9.5) -0.19 -3.08 -7.53 3 4 0 58 197.282 2 ↓
Mid Mid (pH 6-8) -0.19 0.72 -112.42 5 4 2 64 199.298 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-(azetidin-3-yl)-6-methyl-piperidine-3-carboxamide (3R,6R)-1-(azetidin-3-yl)-6-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) -0.19 -1.46 -38.09 4 4 1 63 198.29 2 ↓
Hi High (pH 8-9.5) -0.19 -3.12 -6.98 3 4 0 58 197.282 2 ↓
Mid Mid (pH 6-8) -0.19 0.67 -109.13 5 4 2 64 199.298 2 ↓

Analogs

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Popular Name: (3R,6S)-1-(azetidin-3-yl)-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(azetidin-3-yl)-6-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) -0.19 -0.72 -36.35 4 4 1 63 198.29 2 ↓
Hi High (pH 8-9.5) -0.19 -2.39 -7 3 4 0 58 197.282 2 ↓
Mid Mid (pH 6-8) -0.19 0.89 -101.12 5 4 2 64 199.298 2 ↓

Analogs

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Popular Name: 2-[1-(azetidin-3-yl)-4-piperidyl]acetamide 2-[1-(azetidin-3-yl)-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) -0.07 1.23 -114.47 5 4 2 64 199.298 3 ↓
Hi High (pH 8-9.5) -0.07 -2.64 -7.49 3 4 0 58 197.282 3 ↓
Hi High (pH 8-9.5) -0.07 -0.96 -41.82 4 4 1 63 198.29 3 ↓

Analogs

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Popular Name: (3S)-1-(azetidin-3-yl)-3-(trifluoromethyl)piperidine (3S)-1-(azetidin-3-yl)-3-(triflu…

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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) 1.68 2.56 -39.86 2 2 1 20 209.235 2 ↓
Hi High (pH 8-9.5) 1.68 0.87 -2.19 1 2 0 15 208.227 2 ↓
Lo Low (pH 4.5-6) 1.68 3.05 -36.67 2 2 1 16 209.235 2 ↓

Analogs

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Popular Name: (3R)-1-(azetidin-3-yl)-3-(trifluoromethyl)piperidine (3R)-1-(azetidin-3-yl)-3-(triflu…

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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) 1.68 2.56 -39.88 2 2 1 20 209.235 2 ↓
Hi High (pH 8-9.5) 1.68 0.88 -2.05 1 2 0 15 208.227 2 ↓
Lo Low (pH 4.5-6) 1.68 3.08 -36.72 2 2 1 16 209.235 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-tert-butyl-piperidine 1-(azetidin-3-yl)-4-tert-butyl-p…

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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) 2.45 5.87 -112.88 3 2 2 21 198.354 2 ↓
Hi High (pH 8-9.5) 2.45 3.65 -36.43 2 2 1 20 197.346 2 ↓
Hi High (pH 8-9.5) 2.45 1.96 -0.97 1 2 0 15 196.338 2 ↓

Analogs

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Popular Name: (2R,3R)-1-(azetidin-3-yl)-2,3-dimethyl-piperidine (2R,3R)-1-(azetidin-3-yl)-2,3-di…

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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) 1.46 4.54 -107.96 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.46 2.79 -37.1 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.46 1.11 -0.75 1 2 0 15 168.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-(azetidin-3-yl)-2,3-dimethyl-piperidine (2R,3S)-1-(azetidin-3-yl)-2,3-di…

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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) 1.46 4.51 -108.44 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.46 2.39 -37.04 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.46 0.71 -0.92 1 2 0 15 168.284 1 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-propyl-piperidine 1-(azetidin-3-yl)-4-propyl-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) 2.37 5.87 -111.01 3 2 2 21 184.327 3 ↓
Hi High (pH 8-9.5) 2.37 3.68 -36.35 2 2 1 20 183.319 3 ↓
Hi High (pH 8-9.5) 2.37 2 -0.82 1 2 0 15 182.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-(azetidin-3-yl)-2,4-dimethyl-piperidine (2R,4R)-1-(azetidin-3-yl)-2,4-di…

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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) 1.46 4.66 -108.92 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.46 0.87 -0.86 1 2 0 15 168.284 1 ↓
Hi High (pH 8-9.5) 1.46 2.54 -37.03 2 2 1 20 169.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-(azetidin-3-yl)-2,4-dimethyl-piperidine (2R,4S)-1-(azetidin-3-yl)-2,4-di…

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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) 1.46 4.44 -108.4 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.46 2.33 -37.32 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.46 0.66 -0.89 1 2 0 15 168.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-3,3-dimethyl-piperidine 1-(azetidin-3-yl)-3,3-dimethyl-p…

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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) 1.54 4.94 -110.18 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.54 2.82 -36.99 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.54 1.15 -0.8 1 2 0 15 168.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(Azetidin-3-yl)piperidin-4-ol dihydrochloride 1-(Azetidin-3-yl)piperidin-4-ol …

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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 -1.68 -39.55 3 3 1 40 157.237 1 ↓
Hi High (pH 8-9.5) -1.00 -3.36 -2.99 2 3 0 35 156.229 1 ↓
Mid Mid (pH 6-8) -1.00 0.49 -112.86 4 3 2 41 158.245 1 ↓

Parameters Provided:

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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 = 318192 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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