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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3,5-dimethylphenyl)-1-(6-quinolyl)ethanol (1S)-2-(3,5-dimethylphenyl)-1-(6…

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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) 3.74 8.3 -8.85 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.74 8.73 -35.3 2 2 1 34 278.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3,5-dimethylphenyl)-1-(6-quinolyl)ethanol (1R)-2-(3,5-dimethylphenyl)-1-(6…

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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) 3.74 8.27 -8.82 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.74 8.71 -35.35 2 2 1 34 278.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2,5-dimethylphenyl)-1-(6-quinolyl)ethanol (1S)-2-(2,5-dimethylphenyl)-1-(6…

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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) 3.74 8.58 -8.66 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.74 9.02 -35.58 2 2 1 34 278.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2,5-dimethylphenyl)-1-(6-quinolyl)ethanol (1R)-2-(2,5-dimethylphenyl)-1-(6…

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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) 3.74 8.12 -8.99 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.74 8.56 -35.88 2 2 1 34 278.375 3 ↓

Analogs

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Popular Name: (1S)-2-(4-ethylphenyl)-1-(6-quinolyl)ethanol (1S)-2-(4-ethylphenyl)-1-(6-quin…

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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) 3.83 8.42 -8.63 1 2 0 33 277.367 4 ↓
Lo Low (pH 4.5-6) 3.83 8.85 -35 2 2 1 34 278.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4-ethylphenyl)-1-(6-quinolyl)ethanol (1R)-2-(4-ethylphenyl)-1-(6-quin…

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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) 3.83 8.39 -8.59 1 2 0 33 277.367 4 ↓
Lo Low (pH 4.5-6) 3.83 8.82 -34.95 2 2 1 34 278.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2,5-difluorophenyl)-1-(6-quinolyl)ethanol (1R)-2-(2,5-difluorophenyl)-1-(6…

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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 7.02 -8.98 1 2 0 33 285.293 3 ↓
Lo Low (pH 4.5-6) 3.17 7.45 -35.44 2 2 1 34 286.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2,5-difluorophenyl)-1-(6-quinolyl)ethanol (1S)-2-(2,5-difluorophenyl)-1-(6…

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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 7.2 -8.72 1 2 0 33 285.293 3 ↓
Lo Low (pH 4.5-6) 3.17 7.64 -35.24 2 2 1 34 286.301 3 ↓

Analogs

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Popular Name: (1S)-2-(2-chloro-6-fluoro-phenyl)-1-(6-quinolyl)ethanol (1S)-2-(2-chloro-6-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) 3.66 7.49 -8.27 1 2 0 33 301.748 3 ↓
Lo Low (pH 4.5-6) 3.66 7.93 -33.53 2 2 1 34 302.756 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-chloro-6-fluoro-phenyl)-1-(6-quinolyl)ethanol (1R)-2-(2-chloro-6-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) 3.66 7.63 -8.07 1 2 0 33 301.748 3 ↓
Lo Low (pH 4.5-6) 3.66 8.06 -33.25 2 2 1 34 302.756 3 ↓

Analogs

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Popular Name: (1S)-2-(2-methoxyphenyl)-1-(6-quinolyl)ethanol (1S)-2-(2-methoxyphenyl)-1-(6-qu…

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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) 2.92 7.25 -9.1 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 2.92 7.68 -34.83 2 3 1 44 280.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-methoxyphenyl)-1-(6-quinolyl)ethanol (1R)-2-(2-methoxyphenyl)-1-(6-qu…

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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) 2.92 6.28 -9.72 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 2.92 6.71 -35.36 2 3 1 44 280.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3,4-dimethylphenyl)-1-(6-quinolyl)ethanol (1S)-2-(3,4-dimethylphenyl)-1-(6…

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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) 3.74 8.2 -8.84 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.74 8.63 -35.16 2 2 1 34 278.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3,4-dimethylphenyl)-1-(6-quinolyl)ethanol (1R)-2-(3,4-dimethylphenyl)-1-(6…

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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) 3.74 8.17 -8.86 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.74 8.6 -35.1 2 2 1 34 278.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-bromo-4-fluoro-phenyl)-1-(6-quinolyl)ethanol (1R)-2-(3-bromo-4-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) 3.81 7.61 -10.86 1 2 0 33 346.199 3 ↓
Lo Low (pH 4.5-6) 3.81 8.04 -38.67 2 2 1 34 347.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromo-4-fluoro-phenyl)-1-(6-quinolyl)ethanol (1S)-2-(3-bromo-4-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) 3.81 7.63 -11.19 1 2 0 33 346.199 3 ↓
Lo Low (pH 4.5-6) 3.81 8.07 -39.09 2 2 1 34 347.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-bromophenyl)-1-(6-quinolyl)ethanol (1S)-2-(2-bromophenyl)-1-(6-quin…

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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) 3.67 7.89 -8.51 1 2 0 33 328.209 3 ↓
Lo Low (pH 4.5-6) 3.67 8.32 -34.57 2 2 1 34 329.217 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-bromophenyl)-1-(6-quinolyl)ethanol (1R)-2-(2-bromophenyl)-1-(6-quin…

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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) 3.67 7.4 -8.68 1 2 0 33 328.209 3 ↓
Lo Low (pH 4.5-6) 3.67 7.84 -34.65 2 2 1 34 329.217 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(p-tolyl)-1-(6-quinolyl)ethanol (1S)-2-(p-tolyl)-1-(6-quinolyl)e…

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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) 3.36 7.65 -8.76 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.36 8.09 -35.13 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(p-tolyl)-1-(6-quinolyl)ethanol (1R)-2-(p-tolyl)-1-(6-quinolyl)e…

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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) 3.36 7.63 -8.75 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.36 8.06 -35.13 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4-bromophenyl)-1-(6-quinolyl)ethanol (1R)-2-(4-bromophenyl)-1-(6-quin…

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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) 3.72 7.57 -9.27 1 2 0 33 328.209 3 ↓
Lo Low (pH 4.5-6) 3.72 8.01 -36.64 2 2 1 34 329.217 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-bromophenyl)-1-(6-quinolyl)ethanol (1S)-2-(4-bromophenyl)-1-(6-quin…

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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) 3.72 7.6 -9.31 1 2 0 33 328.209 3 ↓
Lo Low (pH 4.5-6) 3.72 8.03 -36.65 2 2 1 34 329.217 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromophenyl)-1-(6-quinolyl)ethanol (1S)-2-(3-bromophenyl)-1-(6-quin…

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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) 3.70 7.59 -9.08 1 2 0 33 328.209 3 ↓
Lo Low (pH 4.5-6) 3.70 8.02 -35.87 2 2 1 34 329.217 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-bromophenyl)-1-(6-quinolyl)ethanol (1R)-2-(3-bromophenyl)-1-(6-quin…

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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) 3.70 7.56 -9.29 1 2 0 33 328.209 3 ↓
Lo Low (pH 4.5-6) 3.70 8 -36.22 2 2 1 34 329.217 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-fluorophenyl)-1-(6-quinolyl)ethanol (1S)-2-(2-fluorophenyl)-1-(6-qui…

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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) 3.03 7.15 -9.36 1 2 0 33 267.303 3 ↓
Lo Low (pH 4.5-6) 3.03 7.58 -35.27 2 2 1 34 268.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-fluorophenyl)-1-(6-quinolyl)ethanol (1R)-2-(2-fluorophenyl)-1-(6-qui…

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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) 3.03 6.96 -9.43 1 2 0 33 267.303 3 ↓
Lo Low (pH 4.5-6) 3.03 7.39 -35.13 2 2 1 34 268.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(m-tolyl)-1-(6-quinolyl)ethanol (1S)-2-(m-tolyl)-1-(6-quinolyl)e…

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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) 3.34 7.64 -8.76 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.34 8.08 -35.19 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(m-tolyl)-1-(6-quinolyl)ethanol (1R)-2-(m-tolyl)-1-(6-quinolyl)e…

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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) 3.34 7.62 -8.77 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.34 8.05 -35.16 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(o-tolyl)-1-(6-quinolyl)ethanol (1S)-2-(o-tolyl)-1-(6-quinolyl)e…

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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 7.42 -8.96 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.31 7.85 -36.06 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(o-tolyl)-1-(6-quinolyl)ethanol (1R)-2-(o-tolyl)-1-(6-quinolyl)e…

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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 7.41 -8.88 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.31 7.84 -35.88 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-chlorophenyl)-1-(6-quinolyl)ethanol (1S)-2-(2-chlorophenyl)-1-(6-qui…

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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) 3.54 7.72 -8.57 1 2 0 33 283.758 3 ↓
Lo Low (pH 4.5-6) 3.54 8.16 -34.53 2 2 1 34 284.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-chlorophenyl)-1-(6-quinolyl)ethanol (1R)-2-(2-chlorophenyl)-1-(6-qui…

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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) 3.54 7.33 -8.74 1 2 0 33 283.758 3 ↓
Lo Low (pH 4.5-6) 3.54 7.77 -34.61 2 2 1 34 284.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2,4-difluorophenyl)-1-(6-quinolyl)ethanol (1R)-2-(2,4-difluorophenyl)-1-(6…

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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 7.02 -9.91 1 2 0 33 285.293 3 ↓
Lo Low (pH 4.5-6) 3.17 7.45 -36.76 2 2 1 34 286.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2,4-difluorophenyl)-1-(6-quinolyl)ethanol (1S)-2-(2,4-difluorophenyl)-1-(6…

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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 7.2 -10.01 1 2 0 33 285.293 3 ↓
Lo Low (pH 4.5-6) 3.17 7.64 -37.16 2 2 1 34 286.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-phenyl-1-(6-quinolyl)ethanol (1S)-2-phenyl-1-(6-quinolyl)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) 2.91 6.98 -8.73 1 2 0 33 249.313 3 ↓
Lo Low (pH 4.5-6) 2.91 7.41 -35.11 2 2 1 34 250.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-phenyl-1-(6-quinolyl)ethanol (1R)-2-phenyl-1-(6-quinolyl)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) 2.91 6.95 -8.67 1 2 0 33 249.313 3 ↓
Lo Low (pH 4.5-6) 2.91 7.38 -35.11 2 2 1 34 250.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4-chlorophenyl)-1-(6-quinolyl)ethanol (1R)-2-(4-chlorophenyl)-1-(6-qui…

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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) 3.59 7.47 -9.33 1 2 0 33 283.758 3 ↓
Lo Low (pH 4.5-6) 3.59 7.9 -36.66 2 2 1 34 284.766 3 ↓

Analogs

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Popular Name: (1S)-2-(4-chlorophenyl)-1-(6-quinolyl)ethanol (1S)-2-(4-chlorophenyl)-1-(6-qui…

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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) 3.59 7.5 -9.35 1 2 0 33 283.758 3 ↓
Lo Low (pH 4.5-6) 3.59 7.93 -36.67 2 2 1 34 284.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-chlorophenyl)-1-(6-quinolyl)ethanol (1S)-2-(3-chlorophenyl)-1-(6-qui…

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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) 3.56 7.49 -9.15 1 2 0 33 283.758 3 ↓
Lo Low (pH 4.5-6) 3.56 7.92 -35.83 2 2 1 34 284.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-chlorophenyl)-1-(6-quinolyl)ethanol (1R)-2-(3-chlorophenyl)-1-(6-qui…

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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) 3.56 7.46 -9.32 1 2 0 33 283.758 3 ↓
Lo Low (pH 4.5-6) 3.56 7.89 -36.22 2 2 1 34 284.766 3 ↓

Analogs

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Popular Name: (1R)-2-(4-fluorophenyl)-1-(6-quinolyl)ethanol (1R)-2-(4-fluorophenyl)-1-(6-qui…

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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 7.02 -10.13 1 2 0 33 267.303 3 ↓
Lo Low (pH 4.5-6) 3.07 7.45 -37.58 2 2 1 34 268.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-fluorophenyl)-1-(6-quinolyl)ethanol (1S)-2-(4-fluorophenyl)-1-(6-qui…

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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 7.04 -10.1 1 2 0 33 267.303 3 ↓
Lo Low (pH 4.5-6) 3.07 7.48 -37.6 2 2 1 34 268.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-bromophenyl)-1-(6-quinolyl)ethanamine (1S)-2-(2-bromophenyl)-1-(6-quin…

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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) 1.97 8.21 -41.66 3 2 1 41 328.233 3 ↓
Hi High (pH 8-9.5) 1.97 7.88 -7.35 2 2 0 39 327.225 3 ↓
Lo Low (pH 4.5-6) 1.97 8.64 -87.7 4 2 2 42 329.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-bromophenyl)-1-(6-quinolyl)ethanamine (1R)-2-(2-bromophenyl)-1-(6-quin…

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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) 1.97 7.89 -50.2 3 2 1 41 328.233 3 ↓
Hi High (pH 8-9.5) 1.97 7.58 -6.91 2 2 0 39 327.225 3 ↓
Lo Low (pH 4.5-6) 1.97 8.32 -95.75 4 2 2 42 329.241 3 ↓

Analogs

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Popular Name: (1S)-2-(p-tolyl)-1-(6-quinolyl)ethanamine (1S)-2-(p-tolyl)-1-(6-quinolyl)e…

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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) 1.66 8.11 -50.8 3 2 1 41 263.364 3 ↓
Hi High (pH 8-9.5) 1.66 7.78 -7.12 2 2 0 39 262.356 3 ↓
Lo Low (pH 4.5-6) 1.66 8.54 -96.84 4 2 2 42 264.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(p-tolyl)-1-(6-quinolyl)ethanamine (1R)-2-(p-tolyl)-1-(6-quinolyl)e…

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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) 1.66 8.1 -50.82 3 2 1 41 263.364 3 ↓
Hi High (pH 8-9.5) 1.66 7.82 -7.13 2 2 0 39 262.356 3 ↓
Lo Low (pH 4.5-6) 1.66 8.53 -96.86 4 2 2 42 264.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4-bromophenyl)-1-(6-quinolyl)ethanamine (1R)-2-(4-bromophenyl)-1-(6-quin…

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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) 2.02 8.06 -55.53 3 2 1 41 328.233 3 ↓
Hi High (pH 8-9.5) 2.02 7.73 -7.65 2 2 0 39 327.225 3 ↓
Lo Low (pH 4.5-6) 2.02 8.49 -102.51 4 2 2 42 329.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-bromophenyl)-1-(6-quinolyl)ethanamine (1S)-2-(4-bromophenyl)-1-(6-quin…

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Activity (Go SEA)

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) 2.02 8.06 -55.5 3 2 1 41 328.233 3 ↓
Hi High (pH 8-9.5) 2.02 7.76 -7.53 2 2 0 39 327.225 3 ↓
Lo Low (pH 4.5-6) 2.02 8.49 -102.5 4 2 2 42 329.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromophenyl)-1-(6-quinolyl)ethanamine (1S)-2-(3-bromophenyl)-1-(6-quin…

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Activity (Go SEA)

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) 2.00 8.05 -55.11 3 2 1 41 328.233 3 ↓
Hi High (pH 8-9.5) 2.00 7.75 -7.3 2 2 0 39 327.225 3 ↓
Lo Low (pH 4.5-6) 2.00 8.48 -101.47 4 2 2 42 329.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-bromophenyl)-1-(6-quinolyl)ethanamine (1R)-2-(3-bromophenyl)-1-(6-quin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.00 8.05 -52.21 3 2 1 41 328.233 3 ↓
Hi High (pH 8-9.5) 2.00 7.72 -7.56 2 2 0 39 327.225 3 ↓
Lo Low (pH 4.5-6) 2.00 8.48 -98.93 4 2 2 42 329.241 3 ↓

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