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Analogs

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Popular Name: (1R)-1-(4-isoquinolyl)-1-phenyl-ethanol (1R)-1-(4-isoquinolyl)-1-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) 2.77 6.53 -6.35 1 2 0 33 249.313 2 ↓
Lo Low (pH 4.5-6) 2.77 7 -35.4 2 2 1 34 250.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isoquinolyl)-1-phenyl-ethanol (1S)-1-(4-isoquinolyl)-1-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) 2.77 6.55 -6.35 1 2 0 33 249.313 2 ↓
Lo Low (pH 4.5-6) 2.77 7.01 -35.42 2 2 1 34 250.321 2 ↓

Analogs

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Popular Name: (1S)-1-(4-isoquinolyl)-1-(p-tolyl)ethanol (1S)-1-(4-isoquinolyl)-1-(p-toly…

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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) 3.22 7.2 -6.34 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.22 7.67 -35.31 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-isoquinolyl)-1-(p-tolyl)ethanol (1R)-1-(4-isoquinolyl)-1-(p-toly…

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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) 3.22 7.23 -6.32 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.22 7.69 -35.44 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isoquinolyl)-1-(o-tolyl)ethanol (1S)-1-(4-isoquinolyl)-1-(o-toly…

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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 6.61 -6.49 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.17 7.07 -36.13 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-isoquinolyl)-1-(o-tolyl)ethanol (1R)-1-(4-isoquinolyl)-1-(o-toly…

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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 6.69 -5.9 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.17 7.15 -34.66 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(4-fluorophenyl)-1-(4-iso…

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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) 2.94 6.6 -6.4 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 2.94 7.05 -38.09 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-fluorophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(4-fluorophenyl)-1-(4-iso…

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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) 2.94 6.62 -6.41 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 2.94 7.07 -38.12 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-fluorophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(3-fluorophenyl)-1-(4-iso…

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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 6.6 -6.3 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 2.91 7.05 -38.97 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-fluorophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(3-fluorophenyl)-1-(4-iso…

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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 6.62 -6.37 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 2.91 7.07 -39.01 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-fluorophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(2-fluorophenyl)-1-(4-iso…

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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) 2.89 6.48 -8.69 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 2.89 6.95 -32.61 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-fluorophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(2-fluorophenyl)-1-(4-iso…

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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) 2.89 6.48 -8.73 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 2.89 6.94 -32.58 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(4-chlorophenyl)-1-(4-iso…

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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 7.05 -5.88 1 2 0 33 283.758 2 ↓
Lo Low (pH 4.5-6) 3.45 7.51 -37.27 2 2 1 34 284.766 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(4-chlorophenyl)-1-(4-iso…

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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 7.07 -5.93 1 2 0 33 283.758 2 ↓
Lo Low (pH 4.5-6) 3.45 7.53 -37.33 2 2 1 34 284.766 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(3-chlorophenyl)-1-(4-iso…

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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) 3.43 7.05 -5.82 1 2 0 33 283.758 2 ↓
Lo Low (pH 4.5-6) 3.43 7.51 -37.94 2 2 1 34 284.766 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(3-chlorophenyl)-1-(4-iso…

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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) 3.43 7.07 -5.84 1 2 0 33 283.758 2 ↓
Lo Low (pH 4.5-6) 3.43 7.53 -37.96 2 2 1 34 284.766 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(2-chlorophenyl)-1-(4-iso…

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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) 3.40 6.59 -7.35 1 2 0 33 283.758 2 ↓
Lo Low (pH 4.5-6) 3.40 7.06 -32.06 2 2 1 34 284.766 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(2-chlorophenyl)-1-(4-iso…

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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) 3.40 6.6 -7.4 1 2 0 33 283.758 2 ↓
Lo Low (pH 4.5-6) 3.40 7.06 -32.01 2 2 1 34 284.766 2 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(4-bromophenyl)-1-(4-isoq…

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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) 3.58 7.15 -5.85 1 2 0 33 328.209 2 ↓
Lo Low (pH 4.5-6) 3.58 7.62 -37.32 2 2 1 34 329.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(4-bromophenyl)-1-(4-isoq…

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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) 3.58 7.17 -5.9 1 2 0 33 328.209 2 ↓
Lo Low (pH 4.5-6) 3.58 7.63 -37.35 2 2 1 34 329.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(3-bromophenyl)-1-(4-isoq…

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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 7.15 -5.77 1 2 0 33 328.209 2 ↓
Lo Low (pH 4.5-6) 3.56 7.61 -37.96 2 2 1 34 329.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(3-bromophenyl)-1-(4-isoq…

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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 7.17 -5.8 1 2 0 33 328.209 2 ↓
Lo Low (pH 4.5-6) 3.56 7.63 -37.99 2 2 1 34 329.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-bromophenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(2-bromophenyl)-1-(4-isoq…

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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 6.62 -7.52 1 2 0 33 328.209 2 ↓
Lo Low (pH 4.5-6) 3.54 7.08 -31.13 2 2 1 34 329.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-bromophenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(2-bromophenyl)-1-(4-isoq…

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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 6.63 -7.53 1 2 0 33 328.209 2 ↓
Lo Low (pH 4.5-6) 3.54 7.1 -31.16 2 2 1 34 329.217 2 ↓

Analogs

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Popular Name: (1R)-1-(4-isoquinolyl)-1-(4-methoxyphenyl)ethanol (1R)-1-(4-isoquinolyl)-1-(4-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) 2.83 5.83 -7.52 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 2.83 6.29 -37.17 2 3 1 44 280.347 3 ↓

Analogs

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Popular Name: (1S)-1-(4-isoquinolyl)-1-(4-methoxyphenyl)ethanol (1S)-1-(4-isoquinolyl)-1-(4-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) 2.83 5.85 -7.51 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 2.83 6.3 -37.19 2 3 1 44 280.347 3 ↓

Analogs

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Popular Name: (1R)-1-(4-isoquinolyl)-1-(3-methoxyphenyl)ethanol (1R)-1-(4-isoquinolyl)-1-(3-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) 2.81 5.83 -7.37 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 2.81 6.29 -37.91 2 3 1 44 280.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isoquinolyl)-1-(3-methoxyphenyl)ethanol (1S)-1-(4-isoquinolyl)-1-(3-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) 2.81 5.85 -7.39 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 2.81 6.31 -37.93 2 3 1 44 280.347 3 ↓

Analogs

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Popular Name: (1S)-1-(4-isoquinolyl)-1-(2-methoxyphenyl)ethanol (1S)-1-(4-isoquinolyl)-1-(2-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) 2.78 6.08 -7.58 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 2.78 6.55 -33.67 2 3 1 44 280.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-isoquinolyl)-1-(2-methoxyphenyl)ethanol (1R)-1-(4-isoquinolyl)-1-(2-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) 2.78 6.08 -7.67 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 2.78 6.54 -33.5 2 3 1 44 280.347 3 ↓

Analogs

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Popular Name: (1R)-1-(4-isoquinolyl)-1-phenyl-propan-1-ol (1R)-1-(4-isoquinolyl)-1-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) 3.28 6.73 -7.14 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.28 7.2 -32.94 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isoquinolyl)-1-phenyl-propan-1-ol (1S)-1-(4-isoquinolyl)-1-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) 3.28 7.23 -6.17 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.28 7.7 -35.52 2 2 1 34 264.348 3 ↓

Analogs

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Popular Name: (1R)-1-(4-isoquinolyl)-1-phenyl-butan-1-ol (1R)-1-(4-isoquinolyl)-1-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) 3.84 7.96 -5.85 1 2 0 33 277.367 4 ↓
Lo Low (pH 4.5-6) 3.84 8.41 -31.67 2 2 1 34 278.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isoquinolyl)-1-phenyl-butan-1-ol (1S)-1-(4-isoquinolyl)-1-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) 3.84 7.96 -5.74 1 2 0 33 277.367 4 ↓
Lo Low (pH 4.5-6) 3.84 8.43 -32.32 2 2 1 34 278.375 4 ↓

Analogs

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Popular Name: (1S)-1-(4-ethylphenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(4-ethylphenyl)-1-(4-isoq…

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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) 3.69 7.97 -6.14 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.69 8.43 -35.22 2 2 1 34 278.375 3 ↓

Analogs

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Popular Name: (1R)-1-(4-ethylphenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(4-ethylphenyl)-1-(4-isoq…

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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) 3.69 7.99 -6.15 1 2 0 33 277.367 3 ↓
Lo Low (pH 4.5-6) 3.69 8.45 -35.21 2 2 1 34 278.375 3 ↓

Analogs

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Popular Name: (1S)-1-(3,4-dimethylphenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(3,4-dimethylphenyl)-1-(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) 3.60 7.76 -6.47 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 3.60 8.22 -35.27 2 2 1 34 278.375 2 ↓

Analogs

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Popular Name: (1R)-1-(3,4-dimethylphenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(3,4-dimethylphenyl)-1-(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) 3.60 7.78 -6.49 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 3.60 8.24 -35.35 2 2 1 34 278.375 2 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethylphenyl)-1-(4-isoquinolyl)ethanol (1S)-1-(2,5-dimethylphenyl)-1-(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) 3.60 7.33 -5.95 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 3.60 7.79 -34.89 2 2 1 34 278.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethylphenyl)-1-(4-isoquinolyl)ethanol (1R)-1-(2,5-dimethylphenyl)-1-(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) 3.60 7.26 -6.41 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 3.60 7.73 -36.04 2 2 1 34 278.375 2 ↓

Analogs

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Popular Name: (S)-4-isoquinolyl-(4-methoxyphenyl)methanol (S)-4-isoquinolyl-(4-methoxyphen…

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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 5.46 -9.11 1 3 0 42 265.312 3 ↓
Lo Low (pH 4.5-6) 3.01 5.93 -37.78 2 3 1 44 266.32 3 ↓

Analogs

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Popular Name: (R)-4-isoquinolyl-(4-methoxyphenyl)methanol (R)-4-isoquinolyl-(4-methoxyphen…

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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 5.44 -9.09 1 3 0 42 265.312 3 ↓
Lo Low (pH 4.5-6) 3.01 5.91 -37.67 2 3 1 44 266.32 3 ↓

Analogs

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Popular Name: (S)-(4-ethoxyphenyl)-(4-isoquinolyl)methanol (S)-(4-ethoxyphenyl)-(4-isoquino…

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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) 3.38 6.39 -8.89 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.38 6.86 -37.67 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (R)-(4-ethoxyphenyl)-(4-isoquinolyl)methanol (R)-(4-ethoxyphenyl)-(4-isoquino…

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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) 3.38 6.37 -8.92 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.38 6.84 -37.57 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (R)-4-isoquinolyl-(2-methoxyphenyl)methanol (R)-4-isoquinolyl-(2-methoxyphen…

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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 5.88 -8.72 1 3 0 42 265.312 3 ↓
Lo Low (pH 4.5-6) 2.96 6.34 -35.56 2 3 1 44 266.32 3 ↓

Analogs

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Popular Name: (S)-4-isoquinolyl-(2-methoxyphenyl)methanol (S)-4-isoquinolyl-(2-methoxyphen…

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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 5.86 -8.72 1 3 0 42 265.312 3 ↓
Lo Low (pH 4.5-6) 2.96 6.32 -35.63 2 3 1 44 266.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethoxyphenyl)-(4-isoquinolyl)methanol (R)-(2-ethoxyphenyl)-(4-isoquino…

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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 6.75 -8.61 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.34 7.21 -36.3 2 3 1 44 280.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethoxyphenyl)-(4-isoquinolyl)methanol (S)-(2-ethoxyphenyl)-(4-isoquino…

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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 6.74 -8.63 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.34 7.21 -36.65 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-methoxy-phenyl)-(4-isoquinolyl)methanol (R)-(5-bromo-2-methoxy-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) 3.74 6.49 -8.29 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.74 6.95 -35.37 2 3 1 44 345.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-methoxy-phenyl)-(4-isoquinolyl)methanol (S)-(5-bromo-2-methoxy-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) 3.74 6.48 -8.3 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.74 6.93 -35.39 2 3 1 44 345.216 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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