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Analogs

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Popular Name: (1S)-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanol (1S)-2-(2-pyridyl)-1-[3-(trifluo…

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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) 2.70 4.61 -7.77 1 3 0 42 283.249 5 ↓
Lo Low (pH 4.5-6) 2.70 4.95 -36.38 2 3 1 44 284.257 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanol (1R)-2-(2-pyridyl)-1-[3-(trifluo…

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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) 2.70 4.92 -6.49 1 3 0 42 283.249 5 ↓
Lo Low (pH 4.5-6) 2.70 4.96 -36.15 2 3 1 44 284.257 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1S)-2-(2-pyridyl)-1-[3-(trifluo…

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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) 1.01 5.01 -46.44 3 3 1 50 283.273 5 ↓
Hi High (pH 8-9.5) 1.01 4.69 -5.59 2 3 0 48 282.265 5 ↓
Lo Low (pH 4.5-6) 1.01 5.49 -120.17 4 3 2 51 284.281 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1R)-2-(2-pyridyl)-1-[3-(trifluo…

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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) 1.01 5.74 -41.16 3 3 1 50 283.273 5 ↓
Hi High (pH 8-9.5) 1.01 5.18 -4.75 2 3 0 48 282.265 5 ↓
Lo Low (pH 4.5-6) 1.01 5.43 -117.72 4 3 2 51 284.281 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1S)-N-methyl-2-(2-pyridyl)-1-[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) 3.26 6.71 -41.08 2 3 1 39 297.3 6 ↓
Hi High (pH 8-9.5) 3.26 5.6 -4.24 1 3 0 34 296.292 6 ↓
Lo Low (pH 4.5-6) 3.26 7.22 -112.86 3 3 2 40 298.308 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-2-(2-pyridyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (1R)-N-methyl-2-(2-pyridyl)-1-[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) 3.26 7.48 -35.88 2 3 1 39 297.3 6 ↓
Hi High (pH 8-9.5) 3.26 6.3 -4.67 1 3 0 34 296.292 6 ↓
Lo Low (pH 4.5-6) 3.26 7.16 -110.7 3 3 2 40 298.308 6 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-2-(2-pyridyl)ethanol (1R)-1-(2-fluorophenyl)-2-(2-pyr…

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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) 1.88 5.23 -7.01 1 2 0 33 217.243 3 ↓
Lo Low (pH 4.5-6) 1.88 5.28 -31.54 2 2 1 34 218.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-fluorophenyl)-2-(2-pyridyl)ethanol (1S)-1-(2-fluorophenyl)-2-(2-pyr…

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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) 1.88 4.89 -9.37 1 2 0 33 217.243 3 ↓
Lo Low (pH 4.5-6) 1.88 5.22 -32.72 2 2 1 34 218.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-fluorophenyl)-N-methyl-2-(2-pyridyl)ethanamine (1S)-1-(2-fluorophenyl)-N-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 6.9 -38.02 2 2 1 29 231.294 4 ↓
Hi High (pH 8-9.5) 2.43 6.1 -6.23 1 2 0 25 230.286 4 ↓
Lo Low (pH 4.5-6) 2.43 7.41 -103.95 3 2 2 31 232.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-fluorophenyl)-N-methyl-2-(2-pyridyl)ethanamine (1R)-1-(2-fluorophenyl)-N-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 7.69 -31.79 2 2 1 29 231.294 4 ↓
Hi High (pH 8-9.5) 2.43 6.56 -5.35 1 2 0 25 230.286 4 ↓
Lo Low (pH 4.5-6) 2.43 7.38 -101.15 3 2 2 31 232.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-(2-fluorophenyl)-2-(2-pyridyl)ethanamine (1S)-N-ethyl-1-(2-fluorophenyl)-…

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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) 2.81 7.73 -35.68 2 2 1 29 245.321 5 ↓
Hi High (pH 8-9.5) 2.81 7.02 -6.07 1 2 0 25 244.313 5 ↓
Lo Low (pH 4.5-6) 2.81 8.24 -102 3 2 2 31 246.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-(2-fluorophenyl)-2-(2-pyridyl)ethanamine (1R)-N-ethyl-1-(2-fluorophenyl)-…

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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) 2.81 8.52 -29.94 2 2 1 29 245.321 5 ↓
Hi High (pH 8-9.5) 2.81 7.48 -5.06 1 2 0 25 244.313 5 ↓
Lo Low (pH 4.5-6) 2.81 8.21 -99.43 3 2 2 31 246.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-fluorophenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1S)-1-(2-fluorophenyl)-2-(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) 3.31 8.49 -36.24 2 2 1 29 259.348 6 ↓
Hi High (pH 8-9.5) 3.31 7.83 -5.85 1 2 0 25 258.34 6 ↓
Mid Mid (pH 6-8) 3.31 8.99 -103.98 3 2 2 31 260.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-fluorophenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1R)-1-(2-fluorophenyl)-2-(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) 3.31 9.28 -30.29 2 2 1 29 259.348 6 ↓
Hi High (pH 8-9.5) 3.31 8.23 -5 1 2 0 25 258.34 6 ↓
Mid Mid (pH 6-8) 3.31 8.97 -101.27 3 2 2 31 260.356 6 ↓

Analogs

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Popular Name: (1R)-1-(2-methoxy-5-methyl-phenyl)-2-(2-pyridyl)ethanamine (1R)-1-(2-methoxy-5-methyl-pheny…

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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) 0.49 6.01 -34.46 3 3 1 50 243.33 4 ↓
Hi High (pH 8-9.5) 0.49 5.46 -5.75 2 3 0 48 242.322 4 ↓
Lo Low (pH 4.5-6) 0.49 5.7 -106.27 4 3 2 51 244.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-(2-pyridyl)ethanamine (1S)-1-(2-methoxy-5-methyl-pheny…

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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) 0.49 5.3 -40.26 3 3 1 50 243.33 4 ↓
Hi High (pH 8-9.5) 0.49 5 -6.85 2 3 0 48 242.322 4 ↓
Lo Low (pH 4.5-6) 0.49 5.78 -109 4 3 2 51 244.338 4 ↓

Analogs

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Popular Name: (1S)-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanol (1S)-1-(2-pyridyl)-2-(2,4,6-trim…

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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) 2.96 6.88 -5.84 1 2 0 33 241.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanol (1R)-1-(2-pyridyl)-2-(2,4,6-trim…

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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) 2.96 6.64 -5.45 1 2 0 33 241.334 3 ↓

Analogs

43616382
43616382
43616383
43616383

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanol (1R)-1-(3-methyl-2-pyridyl)-2-(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) 3.75 7.06 -5.85 1 2 0 33 255.361 3 ↓

Analogs

43616382
43616382
43616383
43616383

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanol (1S)-1-(3-methyl-2-pyridyl)-2-(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) 3.75 7.25 -6.11 1 2 0 33 255.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-1-(2-pyridyl)-2-(2,4,6-trim…

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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) 1.26 7.32 -43.58 3 2 1 41 241.358 3 ↓
Hi High (pH 8-9.5) 1.26 7.09 -4.48 2 2 0 39 240.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1R)-1-(2-pyridyl)-2-(2,4,6-trim…

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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) 1.26 7.13 -37.48 3 2 1 41 241.358 3 ↓
Hi High (pH 8-9.5) 1.26 6.91 -4.36 2 2 0 39 240.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-N-methyl-1-(2-pyridyl)-2-(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) 3.52 9.04 -45.87 2 2 1 29 255.385 4 ↓
Hi High (pH 8-9.5) 3.52 8.3 -4.65 1 2 0 25 254.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1R)-N-methyl-1-(2-pyridyl)-2-(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) 3.52 9.01 -32.76 2 2 1 29 255.385 4 ↓
Hi High (pH 8-9.5) 3.52 7.46 -3.25 1 2 0 25 254.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-N-ethyl-1-(2-pyridyl)-2-(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) 3.89 9.83 -43.6 2 2 1 29 269.412 5 ↓
Hi High (pH 8-9.5) 3.89 9.02 -3.87 1 2 0 25 268.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1R)-N-ethyl-1-(2-pyridyl)-2-(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) 3.89 9.8 -31.1 2 2 1 29 269.412 5 ↓
Hi High (pH 8-9.5) 3.89 8.08 -4.07 1 2 0 25 268.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine N-[(1S)-1-(2-pyridyl)-2-(2,4,6-t…

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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) 4.39 10.43 -34.42 2 2 1 29 283.439 6 ↓
Hi High (pH 8-9.5) 4.39 9.73 -3.8 1 2 0 25 282.431 6 ↓
Lo Low (pH 4.5-6) 4.39 10.12 -31.93 2 2 1 26 283.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-pyridyl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine N-[(1R)-1-(2-pyridyl)-2-(2,4,6-t…

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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) 4.39 10.55 -31.5 2 2 1 29 283.439 6 ↓
Hi High (pH 8-9.5) 4.39 10.06 -3.59 1 2 0 25 282.431 6 ↓
Lo Low (pH 4.5-6) 4.39 10.49 -35.16 2 2 1 26 283.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1R)-1-(3-methyl-2-pyridyl)-2-(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) 2.05 7.52 -35.62 3 2 1 41 255.385 3 ↓
Mid Mid (pH 6-8) 2.05 7.29 -4.46 2 2 0 39 254.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-1-(3-methyl-2-pyridyl)-2-(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) 2.05 7.7 -34.97 3 2 1 41 255.385 3 ↓
Mid Mid (pH 6-8) 2.05 7.4 -4.84 2 2 0 39 254.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1R)-N-methyl-1-(3-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) 4.30 9.41 -31.17 2 2 1 29 269.412 4 ↓
Hi High (pH 8-9.5) 4.30 7.83 -4.99 1 2 0 25 268.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-N-methyl-1-(3-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) 4.30 8.6 -37.53 2 2 1 29 269.412 4 ↓
Hi High (pH 8-9.5) 4.30 8.89 -4.46 1 2 0 25 268.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-N-ethyl-1-(3-methyl-2-pyrid…

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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) 4.68 9.53 -35.96 2 2 1 29 283.439 5 ↓
Hi High (pH 8-9.5) 4.68 9.23 -4.91 1 2 0 25 282.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-(3-methyl-2-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1R)-N-ethyl-1-(3-methyl-2-pyrid…

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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) 4.68 10.25 -29.45 2 2 1 29 283.439 5 ↓
Hi High (pH 8-9.5) 4.68 9.66 -4.09 1 2 0 25 282.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethylphenyl)-N-methyl-2-(2-pyridyl)ethanamine (1R)-1-(2,5-dimethylphenyl)-N-me…

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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) 3.14 8.84 -30.76 2 2 1 29 241.358 4 ↓
Hi High (pH 8-9.5) 3.14 7.97 -4.57 1 2 0 25 240.35 4 ↓
Lo Low (pH 4.5-6) 3.14 8.53 -104.37 3 2 2 31 242.366 4 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethylphenyl)-N-methyl-2-(2-pyridyl)ethanamine (1S)-1-(2,5-dimethylphenyl)-N-me…

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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) 3.14 7.95 -35.22 2 2 1 29 241.358 4 ↓
Hi High (pH 8-9.5) 3.14 6.96 -4.45 1 2 0 25 240.35 4 ↓
Lo Low (pH 4.5-6) 3.14 8.49 -106.14 3 2 2 31 242.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethylphenyl)-N-ethyl-2-(2-pyridyl)ethanamine (1S)-1-(2,5-dimethylphenyl)-N-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) 3.51 8.83 -33.11 2 2 1 29 255.385 5 ↓
Hi High (pH 8-9.5) 3.51 8.18 -4.01 1 2 0 25 254.377 5 ↓
Lo Low (pH 4.5-6) 3.51 9.33 -104.58 3 2 2 31 256.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethylphenyl)-N-ethyl-2-(2-pyridyl)ethanamine (1R)-1-(2,5-dimethylphenyl)-N-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) 3.51 9.61 -29.12 2 2 1 29 255.385 5 ↓
Hi High (pH 8-9.5) 3.51 8.58 -4.12 1 2 0 25 254.377 5 ↓
Lo Low (pH 4.5-6) 3.51 9.3 -102.95 3 2 2 31 256.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1S)-1-(2,5-dimethylphenyl)-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) 4.02 9.59 -33.65 2 2 1 29 269.412 6 ↓
Hi High (pH 8-9.5) 4.02 8.93 -3.91 1 2 0 25 268.404 6 ↓
Mid Mid (pH 6-8) 4.02 10.08 -106.52 3 2 2 31 270.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1R)-1-(2,5-dimethylphenyl)-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) 4.02 10.37 -29.46 2 2 1 29 269.412 6 ↓
Hi High (pH 8-9.5) 4.02 9.34 -4.03 1 2 0 25 268.404 6 ↓
Mid Mid (pH 6-8) 4.02 10.06 -104.72 3 2 2 31 270.42 6 ↓

Analogs

13282579
13282579
55241904
55241904
55241906
55241906
5330847
5330847
5330880
5330880

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Popular Name: 1-phenyl-2-(2-pyridinyl)ethanol 1-phenyl-2-(2-pyridinyl)ethanol

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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) 1.76 -1.11 -6.06 1 2 0 33 199.253 3 ↓
Lo Low (pH 4.5-6) 1.76 -0.75 -31.21 2 2 1 34 200.261 3 ↓

Analogs

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Popular Name: 4-[2-(2-pyridyl)ethyl]phenol 4-[2-(2-pyridyl)ethyl]phenol

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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 -0.87 -6.17 1 2 0 33 199.253 3 ↓
Lo Low (pH 4.5-6) 2.27 -0.73 -35.2 2 2 1 34 200.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,3-dimethylphenyl)-N-methyl-2-(2-pyridyl)ethanamine (1R)-1-(2,3-dimethylphenyl)-N-me…

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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 8.72 -30.76 2 2 1 29 241.358 4 ↓
Hi High (pH 8-9.5) 3.11 7.87 -4.66 1 2 0 25 240.35 4 ↓
Lo Low (pH 4.5-6) 3.11 8.41 -104.14 3 2 2 31 242.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,3-dimethylphenyl)-N-methyl-2-(2-pyridyl)ethanamine (1S)-1-(2,3-dimethylphenyl)-N-me…

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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 7.84 -35.23 2 2 1 29 241.358 4 ↓
Hi High (pH 8-9.5) 3.11 6.85 -4.55 1 2 0 25 240.35 4 ↓
Lo Low (pH 4.5-6) 3.11 8.37 -105.97 3 2 2 31 242.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,3-dimethylphenyl)-N-ethyl-2-(2-pyridyl)ethanamine (1S)-1-(2,3-dimethylphenyl)-N-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) 3.49 8.72 -33.22 2 2 1 29 255.385 5 ↓
Hi High (pH 8-9.5) 3.49 8.07 -4 1 2 0 25 254.377 5 ↓
Lo Low (pH 4.5-6) 3.49 9.22 -104.41 3 2 2 31 256.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,3-dimethylphenyl)-N-ethyl-2-(2-pyridyl)ethanamine (1R)-1-(2,3-dimethylphenyl)-N-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) 3.49 9.49 -29.17 2 2 1 29 255.385 5 ↓
Hi High (pH 8-9.5) 3.49 8.47 -4.21 1 2 0 25 254.377 5 ↓
Lo Low (pH 4.5-6) 3.49 9.18 -102.82 3 2 2 31 256.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,3-dimethylphenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1S)-1-(2,3-dimethylphenyl)-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) 3.99 9.48 -33.75 2 2 1 29 269.412 6 ↓
Hi High (pH 8-9.5) 3.99 8.82 -3.91 1 2 0 25 268.404 6 ↓
Mid Mid (pH 6-8) 3.99 9.98 -106.36 3 2 2 31 270.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,3-dimethylphenyl)-2-(2-pyridyl)ethyl]propan-1-amine N-[(1R)-1-(2,3-dimethylphenyl)-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) 3.99 10.25 -29.49 2 2 1 29 269.412 6 ↓
Hi High (pH 8-9.5) 3.99 9.22 -4.13 1 2 0 25 268.404 6 ↓
Mid Mid (pH 6-8) 3.99 9.94 -104.7 3 2 2 31 270.42 6 ↓

Analogs

5330847
5330847
5330880
5330880

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-2-(2-pyridinyl)ethanol 1-phenyl-2-(2-pyridinyl)ethanol

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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) 1.76 4.82 -6.92 1 2 0 33 199.253 3 ↓
Lo Low (pH 4.5-6) 1.76 5.08 -32.85 2 2 1 34 200.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-amino-2-phenyl-1-(2-pyridyl)ethanol (1S,2S)-2-amino-2-phenyl-1-(2-py…

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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) -0.93 2.92 -37.48 4 3 1 61 215.276 3 ↓
Hi High (pH 8-9.5) -0.93 2.38 -5.21 3 3 0 59 214.268 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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