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

39365448
39365448

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(Boc-Amino)-1-cyclobutyl-piperidine 4-(Boc-Amino)-1-cyclobutyl-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) 4.01 6.47 -36.61 2 4 1 43 255.382 4 ↓

Analogs

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Popular Name: 1-[(3S)-1-cyclobutyl-3-piperidyl]-N-methyl-methanamine 1-[(3S)-1-cyclobutyl-3-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) 1.56 6.51 -93.8 3 2 2 21 184.327 3 ↓
Hi High (pH 8-9.5) 1.56 4.35 -37.44 2 2 1 20 183.319 3 ↓
Hi High (pH 8-9.5) 1.56 5.07 -29.9 2 2 1 16 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-cyclobutyl-3-piperidyl]-N-methyl-methanamine 1-[(3R)-1-cyclobutyl-3-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) 1.56 6.5 -93.7 3 2 2 21 184.327 3 ↓
Hi High (pH 8-9.5) 1.56 5.19 -30.17 2 2 1 16 183.319 3 ↓
Hi High (pH 8-9.5) 1.56 4.04 -37.53 2 2 1 20 183.319 3 ↓

Analogs

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Popular Name: (3S)-1-cyclobutylpiperidin-3-amine (3S)-1-cyclobutylpiperidin-3-amine

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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 1.42 -40.92 3 2 1 31 155.265 1 ↓
Mid Mid (pH 6-8) 0.27 3.56 -28.91 3 2 1 30 155.265 1 ↓
Lo Low (pH 4.5-6) 0.27 3.88 -105.81 4 2 2 32 156.273 1 ↓

Analogs

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Popular Name: (3R)-1-cyclobutylpiperidin-3-amine (3R)-1-cyclobutylpiperidin-3-amine

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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 1.71 -40.46 3 2 1 31 155.265 1 ↓
Mid Mid (pH 6-8) 0.27 3.55 -28.72 3 2 1 30 155.265 1 ↓
Lo Low (pH 4.5-6) 0.27 3.87 -105.97 4 2 2 32 156.273 1 ↓

Analogs

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Popular Name: [(3R)-1-cyclobutyl-3-piperidyl]methanamine [(3R)-1-cyclobutyl-3-piperidyl]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) 0.58 4.63 -97.98 4 2 2 32 170.3 2 ↓
Hi High (pH 8-9.5) 0.58 4.25 -29.45 3 2 1 30 169.292 2 ↓
Hi High (pH 8-9.5) 0.58 2.16 -42.65 3 2 1 31 169.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-cyclobutyl-3-piperidyl]methanamine [(3S)-1-cyclobutyl-3-piperidyl]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) 0.58 4.62 -98.03 4 2 2 32 170.3 2 ↓
Hi High (pH 8-9.5) 0.58 4.26 -29.74 3 2 1 30 169.292 2 ↓
Hi High (pH 8-9.5) 0.58 2.46 -42.46 3 2 1 31 169.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-cyclobutyl-2-piperidyl]methanamine [(2S)-1-cyclobutyl-2-piperidyl]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) 0.70 4.89 -110.22 4 2 2 32 170.3 2 ↓
Mid Mid (pH 6-8) 0.70 2.62 -40.32 3 2 1 31 169.292 2 ↓
Mid Mid (pH 6-8) 0.70 4.16 -26.57 3 2 1 30 169.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-cyclobutyl-2-piperidyl]methanamine [(2R)-1-cyclobutyl-2-piperidyl]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) 0.70 4.28 -107.68 4 2 2 32 170.3 2 ↓
Mid Mid (pH 6-8) 0.70 4.47 -25.24 3 2 1 30 169.292 2 ↓
Mid Mid (pH 6-8) 0.70 2.21 -42.43 3 2 1 31 169.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclobutyl-N-methyl-piperidin-3-amine (3R)-1-cyclobutyl-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) 1.18 4.31 -30.02 2 2 1 16 169.292 2 ↓
Lo Low (pH 4.5-6) 1.18 5.57 -101.04 3 2 2 21 170.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-cyclobutyl-N-methyl-piperidin-3-amine (3S)-1-cyclobutyl-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) 1.18 4.32 -28.83 2 2 1 16 169.292 2 ↓
Lo Low (pH 4.5-6) 1.18 5.56 -100.85 3 2 2 21 170.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-cyclobutyl-3-piperidyl]methyl]propan-2-amine N-[[(3S)-1-cyclobutyl-3-piperidy…

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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) 2.23 7.89 -93.94 3 2 2 21 212.381 4 ↓
Hi High (pH 8-9.5) 2.23 5.73 -35.32 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-cyclobutyl-3-piperidyl]methyl]propan-2-amine N-[[(3R)-1-cyclobutyl-3-piperidy…

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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) 2.23 7.88 -93.65 3 2 2 21 212.381 4 ↓
Hi High (pH 8-9.5) 2.23 5.42 -35.37 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-cyclobutyl-4-piperidyl)-N-methyl-methanamine 1-(1-cyclobutyl-4-piperidyl)-N-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) 1.56 6.52 -91.62 3 2 2 21 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-1-cyclobutyl-2-piperidyl]-N-methyl-methanamine 1-[(2S)-1-cyclobutyl-2-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) 1.68 6.65 -103.47 3 2 2 21 184.327 3 ↓
Mid Mid (pH 6-8) 1.68 4.61 -35.01 2 2 1 20 183.319 3 ↓
Mid Mid (pH 6-8) 1.68 5.12 -27.28 2 2 1 16 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-1-cyclobutyl-2-piperidyl]-N-methyl-methanamine 1-[(2R)-1-cyclobutyl-2-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) 1.68 6.19 -102.37 3 2 2 21 184.327 3 ↓
Mid Mid (pH 6-8) 1.68 4.1 -37.26 2 2 1 20 183.319 3 ↓
Mid Mid (pH 6-8) 1.68 5.94 -25.77 2 2 1 16 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-aminoethyl)-1-cyclobutyl-piperidine-3-carboxamide (3S)-N-(2-aminoethyl)-1-cyclobut…

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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) -0.31 2.98 -92.06 5 4 2 61 227.352 4 ↓
Hi High (pH 8-9.5) -0.31 2.6 -36.18 4 4 1 60 226.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-aminoethyl)-1-cyclobutyl-piperidine-3-carboxamide (3R)-N-(2-aminoethyl)-1-cyclobut…

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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) -0.31 2.96 -92.02 5 4 2 61 227.352 4 ↓
Hi High (pH 8-9.5) -0.31 2.58 -36.19 4 4 1 60 226.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(2S)-1-cyclobutyl-2-piperidyl]ethanamine (1S)-1-[(2S)-1-cyclobutyl-2-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) 1.10 4.78 -104.68 4 2 2 32 184.327 2 ↓
Mid Mid (pH 6-8) 1.10 4.46 -28.08 3 2 1 30 183.319 2 ↓
Mid Mid (pH 6-8) 1.10 3.12 -41.72 3 2 1 31 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2S)-1-cyclobutyl-2-piperidyl]ethanamine (1R)-1-[(2S)-1-cyclobutyl-2-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) 1.10 5.24 -107.35 4 2 2 32 184.327 2 ↓
Mid Mid (pH 6-8) 1.10 3.14 -38.04 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 1.10 5.15 -25.42 3 2 1 30 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(2R)-1-cyclobutyl-2-piperidyl]ethanamine (1S)-1-[(2R)-1-cyclobutyl-2-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) 1.10 5.19 -107.44 4 2 2 32 184.327 2 ↓
Mid Mid (pH 6-8) 1.10 3.2 -37.27 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 1.10 4.86 -28.2 3 2 1 30 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2R)-1-cyclobutyl-2-piperidyl]ethanamine (1R)-1-[(2R)-1-cyclobutyl-2-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) 1.10 4.72 -104.65 4 2 2 32 184.327 2 ↓
Mid Mid (pH 6-8) 1.10 3.03 -40.88 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 1.10 4.98 -25.57 3 2 1 30 183.319 2 ↓

Analogs

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Popular Name: (1S)-1-(1-cyclobutyl-4-piperidyl)ethanamine (1S)-1-(1-cyclobutyl-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) 0.98 5.31 -98.93 4 2 2 32 184.327 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-cyclobutyl-4-piperidyl)ethanamine (1R)-1-(1-cyclobutyl-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) 0.98 5.21 -95.5 4 2 2 32 184.327 2 ↓

Analogs

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Popular Name: (3R,4R)-1-cyclobutyl-4-methyl-piperidin-3-amine (3R,4R)-1-cyclobutyl-4-methyl-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) 0.74 4.91 -109.79 4 2 2 32 170.3 1 ↓
Hi High (pH 8-9.5) 0.74 2.66 -36.81 3 2 1 31 169.292 1 ↓
Mid Mid (pH 6-8) 0.74 4.54 -27.04 3 2 1 30 169.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-1-cyclobutyl-4-methyl-piperidin-3-amine (3R,4S)-1-cyclobutyl-4-methyl-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) 0.74 4.52 -106.95 4 2 2 32 170.3 1 ↓
Hi High (pH 8-9.5) 0.74 2.35 -39.96 3 2 1 31 169.292 1 ↓
Mid Mid (pH 6-8) 0.74 4.21 -29.18 3 2 1 30 169.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-cyclobutyl-2-piperidyl]ethanamine 2-[(2S)-1-cyclobutyl-2-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) 0.97 4.8 -103.3 4 2 2 32 184.327 3 ↓
Hi High (pH 8-9.5) 0.97 3.15 -42.32 3 2 1 31 183.319 3 ↓
Mid Mid (pH 6-8) 0.97 4.41 -28.29 3 2 1 30 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-cyclobutyl-2-piperidyl]ethanamine 2-[(2R)-1-cyclobutyl-2-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) 0.97 4.89 -99.82 4 2 2 32 184.327 3 ↓
Hi High (pH 8-9.5) 0.97 2.83 -43.16 3 2 1 31 183.319 3 ↓
Mid Mid (pH 6-8) 0.97 4.5 -28.33 3 2 1 30 183.319 3 ↓

Analogs

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Popular Name: [(2R,6R)-1-cyclobutyl-6-methyl-2-piperidyl]methanamine [(2R,6R)-1-cyclobutyl-6-methyl-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) 1.03 4.55 -107.75 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 1.03 2.48 -42.85 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 1.03 4.95 -24.94 3 2 1 30 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6S)-1-cyclobutyl-6-methyl-2-piperidyl]methanamine [(2R,6S)-1-cyclobutyl-6-methyl-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) 1.03 4.42 -107.19 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 1.03 2.45 -42.8 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 1.03 5.05 -24.87 3 2 1 30 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-1-cyclobutyl-6-methyl-2-piperidyl]methanamine [(2S,6R)-1-cyclobutyl-6-methyl-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) 1.03 4.99 -109.97 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 1.03 2.45 -43.09 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 1.03 4.84 -24.36 3 2 1 30 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-1-cyclobutyl-6-methyl-2-piperidyl]methanamine [(2S,6S)-1-cyclobutyl-6-methyl-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) 1.03 5.15 -109.64 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 1.03 3.44 -39.99 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 1.03 4.95 -24.28 3 2 1 30 183.319 2 ↓

Analogs

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Popular Name: 2-[(3R)-1-cyclobutyl-3-piperidyl]ethanamine 2-[(3R)-1-cyclobutyl-3-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) 0.85 5.25 -91.22 4 2 2 32 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-cyclobutyl-3-piperidyl]ethanamine 2-[(3S)-1-cyclobutyl-3-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) 0.85 5.24 -91.3 4 2 2 32 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-cyclobutylpiperidin-3-yl)ethan-1-amine 1-(1-cyclobutylpiperidin-3-yl)et…

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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 5.17 -103.34 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.98 4.85 -30.65 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.98 2.99 -40.35 3 2 1 31 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-cyclobutylpiperidin-3-yl)ethan-1-amine 1-(1-cyclobutylpiperidin-3-yl)et…

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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 5.28 -102.49 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.98 4.99 -27.74 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.98 3.1 -40.31 3 2 1 31 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-cyclobutylpiperidin-3-yl)ethan-1-amine 1-(1-cyclobutylpiperidin-3-yl)et…

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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 5.26 -101.9 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.98 4.94 -30.76 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.98 2.81 -40.77 3 2 1 31 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-cyclobutylpiperidin-3-yl)ethan-1-amine 1-(1-cyclobutylpiperidin-3-yl)et…

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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 5.17 -103.16 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.98 4.88 -27.65 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.98 2.7 -40.89 3 2 1 31 183.319 2 ↓

Analogs

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Popular Name: [(2S,3R)-1-cyclobutyl-3-methyl-2-piperidyl]methanamine [(2S,3R)-1-cyclobutyl-3-methyl-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) 0.94 4.75 -107.52 4 2 2 32 184.327 2 ↓
Mid Mid (pH 6-8) 0.94 2.89 -43.88 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 0.94 4.29 -26.93 3 2 1 30 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-1-cyclobutyl-3-methyl-2-piperidyl]methanamine [(2S,3S)-1-cyclobutyl-3-methyl-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) 0.94 5.2 -111 4 2 2 32 184.327 2 ↓
Mid Mid (pH 6-8) 0.94 3.45 -39.23 3 2 1 31 183.319 2 ↓
Mid Mid (pH 6-8) 0.94 4.95 -25.51 3 2 1 30 183.319 2 ↓

Analogs

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Popular Name: [(3R,6R)-1-cyclobutyl-6-methyl-3-piperidyl]methanamine [(3R,6R)-1-cyclobutyl-6-methyl-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) 0.91 4.79 -98.05 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.91 4.43 -28.49 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.91 2.72 -43.07 3 2 1 31 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,6S)-1-cyclobutyl-6-methyl-3-piperidyl]methanamine [(3R,6S)-1-cyclobutyl-6-methyl-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) 0.91 4.93 -98.14 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.91 4.57 -28.4 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.91 2.83 -42.74 3 2 1 31 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,6R)-1-cyclobutyl-6-methyl-3-piperidyl]methanamine [(3S,6R)-1-cyclobutyl-6-methyl-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) 0.91 4.93 -98.18 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.91 4.55 -28.18 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.91 2.83 -42.75 3 2 1 31 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,6S)-1-cyclobutyl-6-methyl-3-piperidyl]methanamine [(3S,6S)-1-cyclobutyl-6-methyl-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) 0.91 4.78 -98.11 4 2 2 32 184.327 2 ↓
Hi High (pH 8-9.5) 0.91 4.4 -28.26 3 2 1 30 183.319 2 ↓
Hi High (pH 8-9.5) 0.91 2.31 -43.41 3 2 1 31 183.319 2 ↓

Analogs

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Popular Name: 2-(1-cyclobutyl-4-piperidyl)ethanamine 2-(1-cyclobutyl-4-piperidyl)etha…

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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) 1.03 5.28 -89.34 4 2 2 32 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-cyclobutyl-4-piperidyl)-N-methyl-ethanamine 2-(1-cyclobutyl-4-piperidyl)-N-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) 2.01 7.14 -85.52 3 2 2 21 198.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-cyclobutyl-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-cyclobutyl-2-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) 1.95 6.68 -98.28 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 1.95 5.23 -27.53 2 2 1 16 197.346 4 ↓
Hi High (pH 8-9.5) 1.95 5.11 -37.54 2 2 1 20 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-cyclobutyl-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-cyclobutyl-2-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) 1.95 6.77 -95.76 3 2 2 21 198.354 4 ↓
Hi High (pH 8-9.5) 1.95 5.33 -28.69 2 2 1 16 197.346 4 ↓
Hi High (pH 8-9.5) 1.95 4.71 -38.26 2 2 1 20 197.346 4 ↓

Parameters Provided:

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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 = 94822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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