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Analogs

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Popular Name: 2-[(4-aminophenyl)methyl-(2-pyridylmethyl)amino]acetamide 2-[(4-aminophenyl)methyl-(2-pyri…

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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) -0.22 3.34 -34 5 5 1 86 271.344 6 ↓

Analogs

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Popular Name: 2-[(3-aminophenyl)methyl-(2-pyridylmethyl)amino]acetamide 2-[(3-aminophenyl)methyl-(2-pyri…

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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) -0.25 3.33 -34.14 5 5 1 86 271.344 6 ↓

Analogs

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Popular Name: 2-[(2-aminophenyl)methyl-(2-pyridylmethyl)amino]acetamide 2-[(2-aminophenyl)methyl-(2-pyri…

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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 3.75 -32.9 5 5 1 86 271.344 6 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-1-(2-pyridyl)methanamine N-[(2-chloro-5-nitro-phenyl)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) 2.29 7.62 -46.02 2 5 1 75 278.719 5 ↓
Mid Mid (pH 6-8) 2.29 6.25 -8.29 1 5 0 71 277.711 5 ↓

Analogs

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Popular Name: (1S)-N-[(2-chloro-5-nitro-phenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(2-chloro-5-nitro-phenyl…

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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) 2.85 8.4 -41.72 2 5 1 75 292.746 5 ↓
Mid Mid (pH 6-8) 2.85 7.19 -7.53 1 5 0 71 291.738 5 ↓

Analogs

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Popular Name: (1R)-N-[(2-chloro-5-nitro-phenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(2-chloro-5-nitro-phenyl…

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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) 2.85 8.4 -42.41 2 5 1 75 292.746 5 ↓
Mid Mid (pH 6-8) 2.85 7.19 -7.76 1 5 0 71 291.738 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-(2-pyridylmethyl)propan-1-amine (1S)-1-(2,4-dichlorophenyl)-N-(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) 3.17 8.62 -37.6 2 2 1 29 296.221 5 ↓
Hi High (pH 8-9.5) 3.17 7.9 -3.61 1 2 0 25 295.213 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-(2-pyridylmethyl)propan-1-amine (1R)-1-(2,4-dichlorophenyl)-N-(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) 3.17 8.68 -38.42 2 2 1 29 296.221 5 ↓
Hi High (pH 8-9.5) 3.17 7.66 -3.47 1 2 0 25 295.213 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-[(1S)-1-(2-pyridyl)ethyl]propan-1-amine (1S)-1-(2,4-dichlorophenyl)-N-[(…

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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) 3.73 9.49 -34.22 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.73 8.49 -3.5 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-[(1S)-1-(2-pyridyl)ethyl]propan-1-amine (1R)-1-(2,4-dichlorophenyl)-N-[(…

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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) 3.73 9.46 -32.19 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.73 8.86 -2.83 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-[(1R)-1-(2-pyridyl)ethyl]propan-1-amine (1S)-1-(2,4-dichlorophenyl)-N-[(…

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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) 3.73 9.35 -32.29 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.73 8.67 -3.04 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-[(1R)-1-(2-pyridyl)ethyl]propan-1-amine (1R)-1-(2,4-dichlorophenyl)-N-[(…

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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) 3.73 9.5 -34.06 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.73 8.93 -3.14 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-(2-pyridylmethylamino)ethyl]phenol 4-methyl-2-[(1R)-1-(2-pyridylmet…

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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) 2.65 4.99 -37.22 3 3 1 50 243.33 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-(2-pyridylmethylamino)ethyl]phenol 4-methyl-2-[(1S)-1-(2-pyridylmet…

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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) 2.65 5.02 -38.73 3 3 1 50 243.33 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[[(1S)-1-(2-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(1S)-1-(2-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) 3.21 5.91 -35.29 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[[(1S)-1-(2-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(1S)-1-(2-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) 3.21 5.8 -34.02 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[[(1R)-1-(2-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(1R)-1-(2-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) 3.21 5.8 -33.37 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[[(1R)-1-(2-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(1R)-1-(2-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) 3.21 5.94 -34.73 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(2-pyridyl)ethyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[(1S)-…

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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) 3.52 8.46 -36.59 2 2 1 29 261.776 4 ↓
Hi High (pH 8-9.5) 3.52 7.43 -4.45 1 2 0 25 260.768 4 ↓

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-N-[(1S)-1-(2-pyridyl)ethyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[(1S)-…

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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) 3.52 8.53 -37.58 2 2 1 29 261.776 4 ↓
Hi High (pH 8-9.5) 3.52 7.33 -4.27 1 2 0 25 260.768 4 ↓

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-N-[(1R)-1-(2-pyridyl)ethyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[(1R)-…

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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) 3.52 8.53 -37.51 2 2 1 29 261.776 4 ↓
Hi High (pH 8-9.5) 3.52 7.38 -4.68 1 2 0 25 260.768 4 ↓

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-N-[(1R)-1-(2-pyridyl)ethyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[(1R)-…

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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) 3.52 8.64 -38.25 2 2 1 29 261.776 4 ↓
Hi High (pH 8-9.5) 3.52 7.46 -3.35 1 2 0 25 260.768 4 ↓

Analogs

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Popular Name: (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(3,4-dimethoxyphenyl)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) 1.93 6.53 -43.32 2 4 1 48 273.356 6 ↓

Analogs

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Popular Name: (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(3,4-dimethoxyphenyl)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) 1.93 6.53 -43.41 2 4 1 48 273.356 6 ↓

Analogs

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Popular Name: (1R)-N-[(2,4-dimethylphenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(2,4-dimethylphenyl)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) 3.11 8.61 -35.36 2 2 1 29 241.358 4 ↓

Analogs

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Popular Name: (1S)-N-[(2,4-dimethylphenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(2,4-dimethylphenyl)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) 3.11 8.61 -35.58 2 2 1 29 241.358 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-tert-butylphenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(4-tert-butylphenyl)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) 3.99 9.63 -35.86 2 2 1 29 269.412 5 ↓

Analogs

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Popular Name: (1S)-N-[(4-tert-butylphenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(4-tert-butylphenyl)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) 3.99 9.62 -35.85 2 2 1 29 269.412 5 ↓

Analogs

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Popular Name: (1R)-N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(5-bromo-2-fluoro-phenyl…

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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) 3.18 7.93 -36.04 2 2 1 29 310.19 4 ↓
Hi High (pH 8-9.5) 3.18 6.61 -5.57 1 2 0 25 309.182 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(5-bromo-2-fluoro-phenyl…

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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) 3.18 7.96 -35.9 2 2 1 29 310.19 4 ↓
Hi High (pH 8-9.5) 3.18 6.66 -5 1 2 0 25 309.182 4 ↓

Analogs

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Popular Name: 4-[[[(1R)-1-(2-pyridyl)ethyl]amino]methyl]phenol 4-[[[(1R)-1-(2-pyridyl)ethyl]ami…

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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) 1.80 4.44 -39.87 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.80 5.21 -61.95 2 3 0 53 228.295 4 ↓

Analogs

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Popular Name: 4-[[[(1S)-1-(2-pyridyl)ethyl]amino]methyl]phenol 4-[[[(1S)-1-(2-pyridyl)ethyl]ami…

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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) 1.80 4.43 -40.05 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.80 5.2 -61.95 2 3 0 53 228.295 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[[[(1R)-1-(2-pyridyl)ethyl]amino]methyl]aniline N,N-dimethyl-4-[[[(1R)-1-(2-pyri…

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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) 2.39 7.8 -35.79 2 3 1 33 256.373 5 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[[[(1S)-1-(2-pyridyl)ethyl]amino]methyl]aniline N,N-dimethyl-4-[[[(1S)-1-(2-pyri…

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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) 2.39 7.78 -35.85 2 3 1 33 256.373 5 ↓

Analogs

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Popular Name: (1R)-N-[(4-bromophenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(4-bromophenyl)methyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 7.93 -40.86 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 3.09 6.59 -5.04 1 2 0 25 291.192 4 ↓

Analogs

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Popular Name: (1S)-N-[(4-bromophenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(4-bromophenyl)methyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 7.91 -40.86 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 3.09 6.61 -4.76 1 2 0 25 291.192 4 ↓

Analogs

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Popular Name: 2-methoxy-4-[[[(1S)-1-(2-pyridyl)ethyl]amino]methyl]phenol 2-methoxy-4-[[[(1S)-1-(2-pyridyl…

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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) 1.62 4.57 -41.53 3 4 1 59 259.329 5 ↓
Hi High (pH 8-9.5) 1.62 5.36 -65.95 2 4 0 62 258.321 5 ↓

Analogs

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Popular Name: 2-methoxy-4-[[[(1R)-1-(2-pyridyl)ethyl]amino]methyl]phenol 2-methoxy-4-[[[(1R)-1-(2-pyridyl…

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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) 1.62 4.57 -41.42 3 4 1 59 259.329 5 ↓
Hi High (pH 8-9.5) 1.62 5.36 -65.83 2 4 0 62 258.321 5 ↓

Analogs

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Popular Name: (1R)-N-[(3-bromophenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(3-bromophenyl)methyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 7.92 -39.11 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 3.07 6.58 -4.85 1 2 0 25 291.192 4 ↓

Analogs

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Popular Name: (1S)-N-[(3-bromophenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(3-bromophenyl)methyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 7.92 -39.39 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 3.07 6.61 -4.74 1 2 0 25 291.192 4 ↓

Analogs

8428727
8428727
8428728
8428728

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Popular Name: (1S)-N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(2,4-dimethoxyphenyl)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) 2.33 6.03 -34.96 2 4 1 48 273.356 6 ↓

Analogs

8428727
8428727
8428728
8428728

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(2,4-dimethoxyphenyl)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) 2.33 6.02 -35.33 2 4 1 48 273.356 6 ↓

Analogs

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Popular Name: (1R)-N-[(2,4-difluorophenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(2,4-difluorophenyl)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) 2.54 7.41 -38.72 2 2 1 29 249.284 4 ↓
Hi High (pH 8-9.5) 2.54 6.09 -5.72 1 2 0 25 248.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2,4-difluorophenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(2,4-difluorophenyl)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) 2.54 7.41 -39.17 2 2 1 29 249.284 4 ↓
Hi High (pH 8-9.5) 2.54 6.11 -5.86 1 2 0 25 248.276 4 ↓

Analogs

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Popular Name: (1R)-N-[(3,4-dichlorophenyl)methyl]-1-(2-pyridyl)ethanamine (1R)-N-[(3,4-dichlorophenyl)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) 3.57 8.27 -44.01 2 2 1 29 282.194 4 ↓
Hi High (pH 8-9.5) 3.57 6.93 -6.16 1 2 0 25 281.186 4 ↓

Analogs

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Popular Name: (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(3,4-dichlorophenyl)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) 3.57 8.26 -44.03 2 2 1 29 282.194 4 ↓
Hi High (pH 8-9.5) 3.57 6.95 -5.22 1 2 0 25 281.186 4 ↓

Analogs

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Popular Name: (1R)-N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-pyridyl)ethanamine (1R)-N-[[4-(difluoromethoxy)phen…

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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) 2.90 6.88 -41.12 2 3 1 39 279.31 6 ↓
Hi High (pH 8-9.5) 2.90 5.54 -8.08 1 3 0 34 278.302 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-pyridyl)ethanamine (1S)-N-[[4-(difluoromethoxy)phen…

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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) 2.90 6.87 -41.26 2 3 1 39 279.31 6 ↓
Hi High (pH 8-9.5) 2.90 5.56 -7.9 1 3 0 34 278.302 6 ↓

Analogs

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Popular Name: (1R)-1-(2-pyridyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (1R)-1-(2-pyridyl)-N-[[2-(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) 3.13 8.27 -32.41 2 2 1 29 281.301 5 ↓
Hi High (pH 8-9.5) 3.13 7.4 -6.89 1 2 0 25 280.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-pyridyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (1S)-1-(2-pyridyl)-N-[[2-(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) 3.13 8.27 -31.77 2 2 1 29 281.301 5 ↓
Hi High (pH 8-9.5) 3.13 7.43 -6.51 1 2 0 25 280.293 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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