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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(S)-(3,5-ditert-butyl-4-hydroxy-phenyl)-diethoxyphosphoryl-methyl]-N-(4-pyridylmethyl)acetamide N-[(S)-(3,5-ditert-butyl-4-hydro…

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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) 4.48 11.78 -15 1 7 0 89 504.608 11 ↓

Analogs

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Popular Name: N-[(R)-(3,5-ditert-butyl-4-hydroxy-phenyl)-diethoxyphosphoryl-methyl]-N-(4-pyridylmethyl)acetamide N-[(R)-(3,5-ditert-butyl-4-hydro…

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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) 4.48 11.59 -12.39 1 7 0 89 504.608 11 ↓

Analogs

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Popular Name: 2,6-ditert-butyl-4-[(S)-diethoxyphosphoryl-(4-pyridylmethylamino)methyl]phenol 2,6-ditert-butyl-4-[(S)-diethoxy…

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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) 4.87 10.03 -12.02 2 6 0 81 462.571 11 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)methyl-(4-pyridylmethyl)amino]acetamide 2-[(4-aminophenyl)methyl-(4-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) -0.34 3 -44.91 5 5 1 86 271.344 6 ↓

Analogs

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Popular Name: 2-[(3-aminophenyl)methyl-(4-pyridylmethyl)amino]acetamide 2-[(3-aminophenyl)methyl-(4-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) -0.37 2.99 -45.04 5 5 1 86 271.344 6 ↓

Analogs

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Popular Name: 2-[(2-aminophenyl)methyl-(4-pyridylmethyl)amino]acetamide 2-[(2-aminophenyl)methyl-(4-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) 0.02 3.4 -43.95 5 5 1 86 271.344 6 ↓

Analogs

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Popular Name: (1S)-N-[(2-chloro-5-nitro-phenyl)methyl]-1-(4-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) 2.73 8.29 -51.02 2 5 1 75 292.746 5 ↓
Mid Mid (pH 6-8) 2.73 7.16 -7.08 1 5 0 71 291.738 5 ↓

Analogs

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Popular Name: (1R)-N-[(2-chloro-5-nitro-phenyl)methyl]-1-(4-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) 2.73 8.29 -51.21 2 5 1 75 292.746 5 ↓
Mid Mid (pH 6-8) 2.73 7.17 -8.03 1 5 0 71 291.738 5 ↓

Analogs

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Popular Name: 1-(2-chloro-5-nitro-phenyl)-N-(4-pyridylmethyl)methanamine 1-(2-chloro-5-nitro-phenyl)-N-(4…

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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) 2.17 7.67 -54.57 2 5 1 75 278.719 5 ↓
Mid Mid (pH 6-8) 2.17 6.28 -7.63 1 5 0 71 277.711 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-[(1S)-1-(4-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) 3.61 9.38 -44.34 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.61 8.5 -4.54 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-[(1S)-1-(4-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) 3.61 9.36 -42.64 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.61 8.85 -3.92 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-[(1R)-1-(4-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) 3.61 9.25 -42.7 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.61 8.63 -3.34 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-[(1R)-1-(4-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) 3.61 9.39 -43.93 2 2 1 29 310.248 5 ↓
Hi High (pH 8-9.5) 3.61 8.82 -3.79 1 2 0 25 309.24 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-(4-pyridylmethyl)propan-1-amine (1S)-1-(2,4-dichlorophenyl)-N-(4…

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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) 3.05 8.67 -46.3 2 2 1 29 296.221 5 ↓
Hi High (pH 8-9.5) 3.05 7.95 -3.92 1 2 0 25 295.213 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-(4-pyridylmethyl)propan-1-amine (1R)-1-(2,4-dichlorophenyl)-N-(4…

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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) 3.05 8.73 -46.05 2 2 1 29 296.221 5 ↓
Hi High (pH 8-9.5) 3.05 7.71 -4.32 1 2 0 25 295.213 5 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[[(1S)-1-(4-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(1S)-1-(4-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) 3.09 5.63 -43.67 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[[(1S)-1-(4-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(1S)-1-(4-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) 3.09 5.68 -43.7 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[[(1R)-1-(4-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(1R)-1-(4-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) 3.09 5.66 -42.4 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[[(1R)-1-(4-pyridyl)ethyl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(1R)-1-(4-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) 3.09 5.65 -43.56 3 3 1 50 257.357 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-(4-pyridylmethylamino)ethyl]phenol 4-methyl-2-[(1R)-1-(4-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) 2.53 5.06 -45.42 3 3 1 50 243.33 4 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-(4-pyridylmethylamino)ethyl]phenol 4-methyl-2-[(1S)-1-(4-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) 2.53 5.08 -46.73 3 3 1 50 243.33 4 ↓

Analogs

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Popular Name: (1R)-N-[(2,4-dimethylphenyl)methyl]-1-(4-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) 2.99 8.51 -45.15 2 2 1 29 241.358 4 ↓

Analogs

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Popular Name: (1S)-N-[(2,4-dimethylphenyl)methyl]-1-(4-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) 2.99 8.51 -45.52 2 2 1 29 241.358 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-tert-butylphenyl)methyl]-1-(4-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) 3.87 9.56 -46 2 2 1 29 269.412 5 ↓

Analogs

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Popular Name: (1S)-N-[(4-tert-butylphenyl)methyl]-1-(4-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) 3.87 9.56 -45.99 2 2 1 29 269.412 5 ↓

Analogs

37871538
37871538

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Popular Name: (1R)-N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(4-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) 3.07 7.89 -45.15 2 2 1 29 310.19 4 ↓
Hi High (pH 8-9.5) 3.07 6.63 -4.67 1 2 0 25 309.182 4 ↓

Analogs

37871538
37871538

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Popular Name: (1S)-N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(4-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) 3.07 7.87 -45.42 2 2 1 29 310.19 4 ↓
Hi High (pH 8-9.5) 3.07 6.58 -4.45 1 2 0 25 309.182 4 ↓

Analogs

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Popular Name: 4-[[[(1R)-1-(4-pyridyl)ethyl]amino]methyl]phenol 4-[[[(1R)-1-(4-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) 1.69 4.35 -49.84 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.69 5.14 -69.51 2 3 0 53 228.295 4 ↓

Analogs

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Popular Name: 4-[[[(1S)-1-(4-pyridyl)ethyl]amino]methyl]phenol 4-[[[(1S)-1-(4-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) 1.69 4.35 -50.16 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.69 5.14 -69.51 2 3 0 53 228.295 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[[[(1R)-1-(4-pyridyl)ethyl]amino]methyl]aniline N,N-dimethyl-4-[[[(1R)-1-(4-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) 2.27 7.73 -45.64 2 3 1 33 256.373 5 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[[[(1S)-1-(4-pyridyl)ethyl]amino]methyl]aniline N,N-dimethyl-4-[[[(1S)-1-(4-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) 2.27 7.73 -45.64 2 3 1 33 256.373 5 ↓

Analogs

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Popular Name: (1R)-N-[(4-bromophenyl)methyl]-1-(4-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) 2.97 7.85 -51.42 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 2.97 6.6 -5.46 1 2 0 25 291.192 4 ↓

Analogs

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Popular Name: (1S)-N-[(4-bromophenyl)methyl]-1-(4-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) 2.97 7.85 -51.43 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 2.97 6.56 -4.39 1 2 0 25 291.192 4 ↓

Analogs

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Popular Name: 2-methoxy-4-[[[(1S)-1-(4-pyridyl)ethyl]amino]methyl]phenol 2-methoxy-4-[[[(1S)-1-(4-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) 1.50 4.5 -51.8 3 4 1 59 259.329 5 ↓
Hi High (pH 8-9.5) 1.50 5.29 -73.66 2 4 0 62 258.321 5 ↓

Analogs

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Popular Name: 2-methoxy-4-[[[(1R)-1-(4-pyridyl)ethyl]amino]methyl]phenol 2-methoxy-4-[[[(1R)-1-(4-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) 1.50 4.5 -51.54 3 4 1 59 259.329 5 ↓
Hi High (pH 8-9.5) 1.50 5.29 -73.38 2 4 0 62 258.321 5 ↓

Analogs

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Popular Name: (1R)-N-[(3-bromophenyl)methyl]-1-(4-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) 2.95 7.84 -49.38 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 2.95 6.59 -4.95 1 2 0 25 291.192 4 ↓

Analogs

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Popular Name: (1S)-N-[(3-bromophenyl)methyl]-1-(4-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) 2.95 7.84 -49.93 2 2 1 29 292.2 4 ↓
Hi High (pH 8-9.5) 2.95 6.55 -4.3 1 2 0 25 291.192 4 ↓

Analogs

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Popular Name: (1S)-N-[(2,4-dimethoxyphenyl)methyl]-1-(4-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) 2.21 5.96 -44.06 2 4 1 48 273.356 6 ↓

Analogs

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Popular Name: (1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-(4-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) 2.21 5.96 -44.73 2 4 1 48 273.356 6 ↓

Analogs

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Popular Name: (1R)-N-[(2,4-difluorophenyl)methyl]-1-(4-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) 2.42 7.33 -48.18 2 2 1 29 249.284 4 ↓
Hi High (pH 8-9.5) 2.42 6.09 -5.43 1 2 0 25 248.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2,4-difluorophenyl)methyl]-1-(4-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) 2.42 7.35 -49.25 2 2 1 29 249.284 4 ↓
Hi High (pH 8-9.5) 2.42 6.08 -5.1 1 2 0 25 248.276 4 ↓

Analogs

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Popular Name: (1R)-N-[(3,4-dichlorophenyl)methyl]-1-(4-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) 3.45 8.2 -54.93 2 2 1 29 282.194 4 ↓
Hi High (pH 8-9.5) 3.45 6.94 -6.94 1 2 0 25 281.186 4 ↓

Analogs

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Popular Name: (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(4-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) 3.45 8.2 -54.43 2 2 1 29 282.194 4 ↓
Hi High (pH 8-9.5) 3.45 6.9 -5.52 1 2 0 25 281.186 4 ↓

Analogs

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Popular Name: (1R)-N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-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) 2.78 6.81 -51.21 2 3 1 39 279.31 6 ↓
Hi High (pH 8-9.5) 2.78 5.55 -8.12 1 3 0 34 278.302 6 ↓

Analogs

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Popular Name: (1S)-N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-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) 2.78 6.81 -51.51 2 3 1 39 279.31 6 ↓
Hi High (pH 8-9.5) 2.78 5.52 -7.28 1 3 0 34 278.302 6 ↓

Analogs

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Popular Name: (1R)-1-(4-pyridyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (1R)-1-(4-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) 3.01 8.2 -41.11 2 2 1 29 281.301 5 ↓
Hi High (pH 8-9.5) 3.01 7.4 -7.28 1 2 0 25 280.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-pyridyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (1S)-1-(4-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) 3.01 8.22 -41.08 2 2 1 29 281.301 5 ↓
Hi High (pH 8-9.5) 3.01 6.94 -5.1 1 2 0 25 280.293 5 ↓

Analogs

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Popular Name: (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-pyridyl)ethanamine (1S)-N-[(3-methoxyphenyl)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) 2.20 6.55 -47.71 2 3 1 39 243.33 5 ↓

Analogs

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Popular Name: (1R)-N-[(3-methoxyphenyl)methyl]-1-(4-pyridyl)ethanamine (1R)-N-[(3-methoxyphenyl)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) 2.20 6.54 -47.22 2 3 1 39 243.33 5 ↓

Analogs

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Popular Name: (1S)-N-[(2-ethoxyphenyl)methyl]-1-(4-pyridyl)ethanamine (1S)-N-[(2-ethoxyphenyl)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) 2.55 7.55 -40.71 2 3 1 39 257.357 6 ↓

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