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

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Popular Name: (1R)-N-(cyclobutylmethyl)-N-methyl-1-(3-pyridyl)ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-N-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) 0.54 3.49 -51.12 3 3 1 44 220.34 5 ↓
Hi High (pH 8-9.5) 0.54 3.15 -3.55 2 3 0 42 219.332 5 ↓
Lo Low (pH 4.5-6) 0.54 5.22 -122.23 4 3 2 45 221.348 5 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(3-pyridyl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-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) 0.54 3.21 -47.12 3 3 1 44 220.34 5 ↓
Hi High (pH 8-9.5) 0.54 3.06 -4.05 2 3 0 42 219.332 5 ↓
Lo Low (pH 4.5-6) 0.54 5.21 -123.37 4 3 2 45 221.348 5 ↓

Analogs

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Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)propane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…

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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 4.3 -39.45 3 3 1 44 234.367 5 ↓
Hi High (pH 8-9.5) 0.94 3.58 -2.75 2 3 0 42 233.359 5 ↓
Lo Low (pH 4.5-6) 0.94 5.93 -120.96 4 3 2 45 235.375 5 ↓

Analogs

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Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)propane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-N1…

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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 4.11 -44.49 3 3 1 44 234.367 5 ↓
Hi High (pH 8-9.5) 0.94 3.8 -2.97 2 3 0 42 233.359 5 ↓
Lo Low (pH 4.5-6) 0.94 5.64 -119.35 4 3 2 45 235.375 5 ↓

Analogs

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Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)propane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-N1…

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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 4.22 -44.82 3 3 1 44 234.367 5 ↓
Hi High (pH 8-9.5) 0.94 3.91 -2.41 2 3 0 42 233.359 5 ↓
Lo Low (pH 4.5-6) 0.94 5.77 -119.28 4 3 2 45 235.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)propane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-N1…

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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 4.31 -39.58 3 3 1 44 234.367 5 ↓
Hi High (pH 8-9.5) 0.94 3.9 -2.47 2 3 0 42 233.359 5 ↓
Lo Low (pH 4.5-6) 0.94 6.03 -120.25 4 3 2 45 235.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)butane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…

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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) 1.47 5 -38.39 3 3 1 44 248.394 6 ↓
Hi High (pH 8-9.5) 1.47 4.67 -2.92 2 3 0 42 247.386 6 ↓
Lo Low (pH 4.5-6) 1.47 6.75 -121.24 4 3 2 45 249.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)butane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-N1…

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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) 1.47 4.97 -44.01 3 3 1 44 248.394 6 ↓
Hi High (pH 8-9.5) 1.47 4.71 -2.78 2 3 0 42 247.386 6 ↓
Lo Low (pH 4.5-6) 1.47 6.45 -119.69 4 3 2 45 249.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)butane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-N1…

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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) 1.47 5 -43.67 3 3 1 44 248.394 6 ↓
Hi High (pH 8-9.5) 1.47 4.08 -3.27 2 3 0 42 247.386 6 ↓
Lo Low (pH 4.5-6) 1.47 6.46 -118.88 4 3 2 45 249.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-pyridyl)butane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-N1…

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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) 1.47 5.15 -38.88 3 3 1 44 248.394 6 ↓
Hi High (pH 8-9.5) 1.47 4.79 -2.21 2 3 0 42 247.386 6 ↓
Lo Low (pH 4.5-6) 1.47 6.87 -120.74 4 3 2 45 249.402 6 ↓

Analogs

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Popular Name: 1-(6-chloro-3-pyridyl)-N-(cyclobutylmethyl)-N-methyl-methanamine 1-(6-chloro-3-pyridyl)-N-(cyclob…

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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) 2.57 7.57 -44.05 1 2 1 17 225.743 4 ↓
Hi High (pH 8-9.5) 2.57 5.24 -3.82 0 2 0 16 224.735 4 ↓

Analogs

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Popular Name: 1-(2-chloro-3-pyridyl)-N-(cyclobutylmethyl)-N-methyl-methanamine 1-(2-chloro-3-pyridyl)-N-(cyclob…

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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) 2.52 7.69 -36.86 1 2 1 17 225.743 4 ↓
Hi High (pH 8-9.5) 2.52 5.36 -4.89 0 2 0 16 224.735 4 ↓

Analogs

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Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine 5-[[cyclobutylmethyl(methyl)amin…

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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 5.89 -37.84 3 3 1 43 206.313 4 ↓
Hi High (pH 8-9.5) 1.37 3.55 -3.84 2 3 0 42 205.305 4 ↓
Mid Mid (pH 6-8) 1.37 6.37 -95.98 4 3 2 45 207.321 4 ↓

Analogs

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Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-pyridin-2-amine 5-[[cyclobutylmethyl(methyl)amin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 6.88 -38.03 2 3 1 29 220.34 5 ↓
Mid Mid (pH 6-8) 1.75 7.35 -95.4 3 3 2 31 221.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-pyridin-2-amine 5-[[cyclobutylmethyl(methyl)amin…

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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) 2.12 7.68 -37.8 2 3 1 29 234.367 6 ↓
Hi High (pH 8-9.5) 2.12 5.34 -3.77 1 3 0 28 233.359 6 ↓
Mid Mid (pH 6-8) 2.12 8.16 -95.86 3 3 2 31 235.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]-N-propyl-pyridin-2-amine 5-[[cyclobutylmethyl(methyl)amin…

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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) 2.63 8.45 -37.72 2 3 1 29 248.394 7 ↓
Mid Mid (pH 6-8) 2.63 8.92 -96.56 3 3 2 31 249.402 7 ↓

Analogs

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Popular Name: 3-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine 3-[[cyclobutylmethyl(methyl)amin…

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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) 1.32 6.23 -37.73 3 3 1 43 206.313 4 ↓
Hi High (pH 8-9.5) 1.32 3.88 -3.76 2 3 0 42 205.305 4 ↓
Mid Mid (pH 6-8) 1.32 6.71 -94.78 4 3 2 45 207.321 4 ↓

Analogs

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Popular Name: 3-[[cyclobutylmethyl(methyl)amino]methyl]-N-methyl-pyridin-2-amine 3-[[cyclobutylmethyl(methyl)amin…

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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) 1.70 7.51 -37.94 2 3 1 29 220.34 5 ↓
Mid Mid (pH 6-8) 1.70 7.89 -92.59 3 3 2 31 221.348 5 ↓

Analogs

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Popular Name: 3-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-pyridin-2-amine 3-[[cyclobutylmethyl(methyl)amin…

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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) 2.07 8.34 -37.59 2 3 1 29 234.367 6 ↓
Mid Mid (pH 6-8) 2.07 8.71 -92.63 3 3 2 31 235.375 6 ↓

Analogs

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Popular Name: 3-[[cyclobutylmethyl(methyl)amino]methyl]-N-propyl-pyridin-2-amine 3-[[cyclobutylmethyl(methyl)amin…

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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) 2.57 9.1 -37.98 2 3 1 29 248.394 7 ↓
Mid Mid (pH 6-8) 2.57 9.47 -93.86 3 3 2 31 249.402 7 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1-(2-hydrazino-3-pyridyl)-N-methyl-methanamine N-(cyclobutylmethyl)-1-(2-hydraz…

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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) 1.08 6.1 -38.81 4 4 1 55 221.328 5 ↓
Hi High (pH 8-9.5) 1.08 3.74 -4.7 3 4 0 54 220.32 5 ↓
Lo Low (pH 4.5-6) 1.08 6.55 -94.13 5 4 2 57 222.336 5 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1-(6-hydrazino-3-pyridyl)-N-methyl-methanamine N-(cyclobutylmethyl)-1-(6-hydraz…

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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) 1.13 5.79 -39.11 4 4 1 55 221.328 5 ↓
Hi High (pH 8-9.5) 1.13 3.46 -4.9 3 4 0 54 220.32 5 ↓
Lo Low (pH 4.5-6) 1.13 6.28 -95.33 5 4 2 57 222.336 5 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(3-pyridyl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(3-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) 1.86 6.14 -40.27 2 2 1 29 191.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-1-(3-pyridyl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(3-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) 1.86 6.14 -40.29 2 2 1 29 191.298 4 ↓

Analogs

37985061
37985061

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(3-pyridyl)methanamine N-(cyclobutylmethyl)-1-(3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 5.54 -43.02 2 2 1 29 177.271 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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