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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-ethoxyphenyl)-(5-isoquinolyl)methanol (S)-(4-ethoxyphenyl)-(5-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) 3.35 6.4 -8.92 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.35 6.87 -38.7 2 3 1 44 280.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-ethoxyphenyl)-(5-isoquinolyl)methanol (R)-(4-ethoxyphenyl)-(5-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) 3.35 6.38 -8.92 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.35 6.85 -38.93 2 3 1 44 280.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethoxyphenyl)-(5-isoquinolyl)methanol (R)-(2-ethoxyphenyl)-(5-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) 3.31 6.76 -9.07 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.31 7.23 -35.67 2 3 1 44 280.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethoxyphenyl)-(5-isoquinolyl)methanol (S)-(2-ethoxyphenyl)-(5-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) 3.31 6.77 -9.16 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.31 7.24 -35.88 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-methoxy-phenyl)-(5-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) 3.71 6.52 -7.85 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.71 6.98 -37.4 2 3 1 44 345.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-methoxy-phenyl)-(5-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) 3.71 6.49 -7.92 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.71 6.96 -37.38 2 3 1 44 345.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3-bromo-4-methoxy-phenyl)-(5-isoquinolyl)methanol (S)-(3-bromo-4-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) 3.71 6.14 -9.42 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.71 6.61 -40.96 2 3 1 44 345.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3-bromo-4-methoxy-phenyl)-(5-isoquinolyl)methanol (R)-(3-bromo-4-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) 3.71 6.12 -9.33 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.71 6.59 -41.35 2 3 1 44 345.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-dimethylaminophenyl)-(5-isoquinolyl)methanol (S)-(4-dimethylaminophenyl)-(5-i…

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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) 3.02 6.59 -8.62 1 3 0 36 278.355 3 ↓
Lo Low (pH 4.5-6) 3.02 7.82 -53.78 3 3 0 39 280.371 3 ↓
Lo Low (pH 4.5-6) 3.02 7.07 -36.89 2 3 1 38 279.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-dimethylaminophenyl)-(5-isoquinolyl)methanol (R)-(4-dimethylaminophenyl)-(5-i…

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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) 3.02 6.57 -8.56 1 3 0 36 278.355 3 ↓
Lo Low (pH 4.5-6) 3.02 7.8 -53.77 3 3 0 39 280.371 3 ↓
Lo Low (pH 4.5-6) 3.02 7.06 -37.22 2 3 1 38 279.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3,4-dichlorophenyl)-(5-isoquinolyl)methanol (R)-(3,4-dichlorophenyl)-(5-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) 4.21 7.15 -8.99 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.21 7.62 -38.16 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3,4-dichlorophenyl)-(5-isoquinolyl)methanol (S)-(3,4-dichlorophenyl)-(5-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) 4.21 7.16 -9.01 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.21 7.63 -38.19 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,4-dichlorophenyl)-(5-isoquinolyl)methanol (S)-(2,4-dichlorophenyl)-(5-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) 4.21 6.92 -8.67 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.21 7.38 -35.81 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,4-dichlorophenyl)-(5-isoquinolyl)methanol (R)-(2,4-dichlorophenyl)-(5-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) 4.21 6.91 -8.7 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.21 7.38 -35.84 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,6-dichlorophenyl)-(5-isoquinolyl)methanol (S)-(2,6-dichlorophenyl)-(5-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) 4.18 6.87 -7.85 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.18 7.33 -35.42 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,6-dichlorophenyl)-(5-isoquinolyl)methanol (R)-(2,6-dichlorophenyl)-(5-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) 4.18 6.82 -7.82 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.18 7.29 -35.21 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-chloro-6-fluoro-phenyl)-(5-isoquinolyl)methanol (S)-(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) 3.67 6.48 -8.05 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.67 6.95 -35.04 2 2 1 34 288.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-chloro-6-fluoro-phenyl)-(5-isoquinolyl)methanol (R)-(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) 3.67 6.87 -7.3 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.67 7.34 -33.5 2 2 1 34 288.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,3-dichlorophenyl)-(5-isoquinolyl)methanol (S)-(2,3-dichlorophenyl)-(5-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) 4.18 6.86 -10.32 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.18 7.33 -35.79 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,3-dichlorophenyl)-(5-isoquinolyl)methanol (R)-(2,3-dichlorophenyl)-(5-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) 4.18 6.86 -10.34 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.18 7.33 -35.82 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,6-difluorophenyl)-(5-isoquinolyl)methanol (S)-(2,6-difluorophenyl)-(5-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) 3.15 6.28 -8.34 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.15 6.74 -35.44 2 2 1 34 272.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,6-difluorophenyl)-(5-isoquinolyl)methanol (R)-(2,6-difluorophenyl)-(5-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) 3.15 6.27 -8.33 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.15 6.74 -35.44 2 2 1 34 272.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-5-isoquinolyl-(2,4,6-trimethylphenyl)methanol (R)-5-isoquinolyl-(2,4,6-trimeth…

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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) 4.12 8.27 -6.08 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 4.12 8.74 -36.29 2 2 1 34 278.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-5-isoquinolyl-(2,4,6-trimethylphenyl)methanol (S)-5-isoquinolyl-(2,4,6-trimeth…

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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) 4.12 7.66 -7.63 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 4.12 8.13 -35.87 2 2 1 34 278.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,4-dimethylphenyl)-(5-isoquinolyl)methanol (S)-(2,4-dimethylphenyl)-(5-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) 3.75 7.12 -7.49 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.58 -37.52 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,4-dimethylphenyl)-(5-isoquinolyl)methanol (R)-(2,4-dimethylphenyl)-(5-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) 3.75 7.17 -7.88 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.63 -36.41 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dimethylphenyl)-(5-isoquinolyl)methanol (S)-(2,5-dimethylphenyl)-(5-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) 3.75 7.23 -7.19 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.69 -35.34 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dimethylphenyl)-(5-isoquinolyl)methanol (R)-(2,5-dimethylphenyl)-(5-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) 3.75 7.1 -7.53 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.57 -37.61 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-fluoro-phenyl)-(5-isoquinolyl)methanol (S)-(5-bromo-2-fluoro-phenyl)-(5…

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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) 3.82 6.77 -7.85 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.82 7.24 -35.18 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-fluoro-phenyl)-(5-isoquinolyl)methanol (R)-(5-bromo-2-fluoro-phenyl)-(5…

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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) 3.82 6.78 -7.87 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.82 7.25 -35.12 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-bromo-2-fluoro-phenyl)-(5-isoquinolyl)methanol (S)-(4-bromo-2-fluoro-phenyl)-(5…

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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) 3.82 6.78 -9.2 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.82 7.25 -35.44 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-bromo-2-fluoro-phenyl)-(5-isoquinolyl)methanol (R)-(4-bromo-2-fluoro-phenyl)-(5…

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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) 3.82 6.79 -9.21 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.82 7.26 -35.46 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3-bromo-4-fluoro-phenyl)-(5-isoquinolyl)methanol (R)-(3-bromo-4-fluoro-phenyl)-(5…

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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) 3.82 6.84 -9.65 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.82 7.3 -38.8 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3-bromo-4-fluoro-phenyl)-(5-isoquinolyl)methanol (S)-(3-bromo-4-fluoro-phenyl)-(5…

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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) 3.82 6.85 -9.69 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.82 7.31 -38.8 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,3-dimethylphenyl)-(5-isoquinolyl)methanol (S)-(2,3-dimethylphenyl)-(5-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) 3.72 7.06 -7.6 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.72 7.52 -37.89 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,3-dimethylphenyl)-(5-isoquinolyl)methanol (R)-(2,3-dimethylphenyl)-(5-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) 3.72 6.97 -7.36 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.72 7.44 -37.7 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3,4-dimethylphenyl)-(5-isoquinolyl)methanol (S)-(3,4-dimethylphenyl)-(5-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) 3.75 7.41 -7.87 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.88 -36.57 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (R)-(3,4-dimethylphenyl)-(5-isoquinolyl)methanol (R)-(3,4-dimethylphenyl)-(5-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) 3.75 7.39 -7.78 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.86 -36.93 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (S)-5-isoquinolyl-(4-methoxy-3-methyl-phenyl)methanol (S)-5-isoquinolyl-(4-methoxy-3-m…

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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 6.23 -9.25 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 3.36 6.7 -38.23 2 3 1 44 280.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-5-isoquinolyl-(4-methoxy-3-methyl-phenyl)methanol (R)-5-isoquinolyl-(4-methoxy-3-m…

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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 6.21 -9.19 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 3.36 6.68 -38.57 2 3 1 44 280.347 3 ↓

Analogs

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Popular Name: (R)-(4-chloro-3-fluoro-phenyl)-(5-isoquinolyl)methanol (R)-(4-chloro-3-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) 3.69 6.74 -9.78 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.69 7.21 -38.88 2 2 1 34 288.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-chloro-3-fluoro-phenyl)-(5-isoquinolyl)methanol (S)-(4-chloro-3-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) 3.69 6.75 -9.78 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.69 7.22 -38.92 2 2 1 34 288.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3,5-dimethylphenyl)-(5-isoquinolyl)methanol (S)-(3,5-dimethylphenyl)-(5-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) 3.75 7.51 -7.78 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.98 -36.56 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3,5-dimethylphenyl)-(5-isoquinolyl)methanol (R)-(3,5-dimethylphenyl)-(5-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) 3.75 7.5 -7.74 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.75 7.97 -36.91 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,3-difluorophenyl)-(5-isoquinolyl)methanol (S)-(2,3-difluorophenyl)-(5-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) 3.15 6.22 -12.42 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.15 6.69 -36.12 2 2 1 34 272.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,3-difluorophenyl)-(5-isoquinolyl)methanol (R)-(2,3-difluorophenyl)-(5-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) 3.15 6.22 -12.45 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.15 6.69 -36.2 2 2 1 34 272.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-fluoro-2-methyl-phenyl)-(5-isoquinolyl)methanol (S)-(4-fluoro-2-methyl-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) 3.46 6.52 -8.15 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 3.46 6.98 -39.85 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-fluoro-2-methyl-phenyl)-(5-isoquinolyl)methanol (R)-(4-fluoro-2-methyl-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) 3.46 6.55 -8.76 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 3.46 7.02 -38.78 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylphenyl)-(5-isoquinolyl)methanol (S)-(2-ethylphenyl)-(5-isoquinol…

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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) 3.79 7.04 -7.42 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.79 7.51 -37.68 2 2 1 34 264.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethylphenyl)-(5-isoquinolyl)methanol (R)-(2-ethylphenyl)-(5-isoquinol…

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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) 3.79 7.15 -6.69 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.79 7.61 -35.22 2 2 1 34 264.348 3 ↓

Parameters Provided:

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

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 159187 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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