UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5720910
5720910
5720911
5720911
25494016
25494016

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Popular Name: 3-benzyl-2-chloro-8-methoxy-quinoline 3-benzyl-2-chloro-8-methoxy-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) 4.86 8.76 -11.3 0 2 0 22 283.758 3 ↓

Analogs

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Popular Name: (S)-(4-ethoxyphenyl)-(3-quinolyl)methanol (S)-(4-ethoxyphenyl)-(3-quinolyl…

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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) 3.27 6.52 -9.99 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.27 6.97 -34.76 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (R)-(4-ethoxyphenyl)-(3-quinolyl)methanol (R)-(4-ethoxyphenyl)-(3-quinolyl…

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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) 3.27 6.52 -9.98 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.27 6.97 -34.64 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (R)-(2-ethoxyphenyl)-(3-quinolyl)methanol (R)-(2-ethoxyphenyl)-(3-quinolyl…

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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) 3.23 6.65 -8.77 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.23 7.09 -31.2 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (S)-(2-ethoxyphenyl)-(3-quinolyl)methanol (S)-(2-ethoxyphenyl)-(3-quinolyl…

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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) 3.23 6.61 -8.8 1 3 0 42 279.339 4 ↓
Lo Low (pH 4.5-6) 3.23 7.05 -31.21 2 3 1 44 280.347 4 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-methoxy-phenyl)-(3-quinolyl)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) 3.64 6.34 -8.7 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.64 6.78 -31.6 2 3 1 44 345.216 3 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-methoxy-phenyl)-(3-quinolyl)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) 3.64 6.3 -8.71 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.64 6.74 -31.52 2 3 1 44 345.216 3 ↓

Analogs

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Popular Name: (S)-(3-bromo-4-methoxy-phenyl)-(3-quinolyl)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) 3.64 6.26 -11.36 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.64 6.7 -35.78 2 3 1 44 345.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3-bromo-4-methoxy-phenyl)-(3-quinolyl)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) 3.64 6.26 -11.31 1 3 0 42 344.208 3 ↓
Lo Low (pH 4.5-6) 3.64 6.7 -35.71 2 3 1 44 345.216 3 ↓

Analogs

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Popular Name: (S)-(4-dimethylaminophenyl)-(3-quinolyl)methanol (S)-(4-dimethylaminophenyl)-(3-q…

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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 6.69 -9.31 1 3 0 36 278.355 3 ↓
Lo Low (pH 4.5-6) 2.94 7.47 -70.68 2 3 0 38 279.363 3 ↓
Lo Low (pH 4.5-6) 2.94 7.15 -32.89 2 3 1 38 279.363 3 ↓

Analogs

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Popular Name: (R)-(4-dimethylaminophenyl)-(3-quinolyl)methanol (R)-(4-dimethylaminophenyl)-(3-q…

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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 6.71 -9.32 1 3 0 36 278.355 3 ↓
Lo Low (pH 4.5-6) 2.94 7.46 -70.66 2 3 0 38 279.363 3 ↓
Lo Low (pH 4.5-6) 2.94 7.17 -32.65 2 3 1 38 279.363 3 ↓

Analogs

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Popular Name: (R)-(3,4-dichlorophenyl)-(3-quinolyl)methanol (R)-(3,4-dichlorophenyl)-(3-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) 4.13 7.27 -9.46 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.13 7.71 -38.17 2 2 1 34 305.184 2 ↓

Analogs

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Popular Name: (S)-(3,4-dichlorophenyl)-(3-quinolyl)methanol (S)-(3,4-dichlorophenyl)-(3-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) 4.13 7.25 -9.33 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.13 7.7 -38.39 2 2 1 34 305.184 2 ↓

Analogs

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Popular Name: (S)-(2,4-dichlorophenyl)-(3-quinolyl)methanol (S)-(2,4-dichlorophenyl)-(3-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) 4.13 7.12 -7.84 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.13 7.56 -34.65 2 2 1 34 305.184 2 ↓

Analogs

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Popular Name: (R)-(2,4-dichlorophenyl)-(3-quinolyl)methanol (R)-(2,4-dichlorophenyl)-(3-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) 4.13 7.1 -7.89 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.13 7.55 -34.71 2 2 1 34 305.184 2 ↓

Analogs

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Popular Name: (S)-(2,6-dichlorophenyl)-(3-quinolyl)methanol (S)-(2,6-dichlorophenyl)-(3-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) 4.10 7.14 -7.73 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.10 7.58 -26.36 2 2 1 34 305.184 2 ↓

Analogs

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Popular Name: (R)-(2,6-dichlorophenyl)-(3-quinolyl)methanol (R)-(2,6-dichlorophenyl)-(3-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) 4.10 7.14 -7.84 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.10 7.58 -26.15 2 2 1 34 305.184 2 ↓

Analogs

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Popular Name: (S)-(2-chloro-6-fluoro-phenyl)-(3-quinolyl)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) 3.59 6.64 -8.17 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.59 7.09 -26.88 2 2 1 34 288.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-chloro-6-fluoro-phenyl)-(3-quinolyl)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) 3.59 6.69 -8.14 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.59 7.12 -26.92 2 2 1 34 288.729 2 ↓

Analogs

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Popular Name: (S)-(2,3-dichlorophenyl)-(3-quinolyl)methanol (S)-(2,3-dichlorophenyl)-(3-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) 4.10 7.07 -9.04 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.10 7.51 -35.4 2 2 1 34 305.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,3-dichlorophenyl)-(3-quinolyl)methanol (R)-(2,3-dichlorophenyl)-(3-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) 4.10 7.05 -9.04 1 2 0 33 304.176 2 ↓
Lo Low (pH 4.5-6) 4.10 7.49 -35.4 2 2 1 34 305.184 2 ↓

Analogs

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Popular Name: (S)-(2,6-difluorophenyl)-(3-quinolyl)methanol (S)-(2,6-difluorophenyl)-(3-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) 3.07 6.25 -8.55 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.07 6.69 -27.31 2 2 1 34 272.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,6-difluorophenyl)-(3-quinolyl)methanol (R)-(2,6-difluorophenyl)-(3-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) 3.07 6.3 -8.5 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.07 6.74 -27.29 2 2 1 34 272.274 2 ↓

Analogs

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Popular Name: (S)-3-quinolyl-(2,4,6-trimethylphenyl)methanol (S)-3-quinolyl-(2,4,6-trimethylp…

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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) 4.04 8.18 -7.01 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 4.04 8.61 -31.16 2 2 1 34 278.375 2 ↓

Analogs

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Popular Name: (R)-3-quinolyl-(2,4,6-trimethylphenyl)methanol (R)-3-quinolyl-(2,4,6-trimethylp…

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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) 4.04 8.07 -6.84 1 2 0 33 277.367 2 ↓
Lo Low (pH 4.5-6) 4.04 8.5 -31.47 2 2 1 34 278.375 2 ↓

Analogs

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Popular Name: (S)-(2,4-dimethylphenyl)-(3-quinolyl)methanol (S)-(2,4-dimethylphenyl)-(3-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 7.3 -8.5 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 7.75 -32.17 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (R)-(2,4-dimethylphenyl)-(3-quinolyl)methanol (R)-(2,4-dimethylphenyl)-(3-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 -8.51 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 7.84 -32.26 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (S)-(2,5-dimethylphenyl)-(3-quinolyl)methanol (S)-(2,5-dimethylphenyl)-(3-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 7.36 -8.45 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 7.8 -32.34 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (R)-(2,5-dimethylphenyl)-(3-quinolyl)methanol (R)-(2,5-dimethylphenyl)-(3-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 7.29 -8.39 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 7.73 -32.3 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-fluoro-phenyl)-(3-quinolyl)methanol (S)-(5-bromo-2-fluoro-phenyl)-(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) 3.74 6.97 -7.54 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.74 7.42 -32.04 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-fluoro-phenyl)-(3-quinolyl)methanol (R)-(5-bromo-2-fluoro-phenyl)-(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) 3.74 6.96 -7.53 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.74 7.41 -32.11 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-bromo-2-fluoro-phenyl)-(3-quinolyl)methanol (S)-(4-bromo-2-fluoro-phenyl)-(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) 3.74 6.98 -8.32 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.74 7.43 -35.1 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-bromo-2-fluoro-phenyl)-(3-quinolyl)methanol (R)-(4-bromo-2-fluoro-phenyl)-(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) 3.74 6.97 -8.29 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.74 7.42 -35.16 2 2 1 34 333.18 2 ↓

Analogs

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Popular Name: (R)-(3-bromo-4-fluoro-phenyl)-(3-quinolyl)methanol (R)-(3-bromo-4-fluoro-phenyl)-(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) 3.74 6.96 -10.07 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.74 7.4 -39.18 2 2 1 34 333.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3-bromo-4-fluoro-phenyl)-(3-quinolyl)methanol (S)-(3-bromo-4-fluoro-phenyl)-(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) 3.74 6.94 -9.93 1 2 0 33 332.172 2 ↓
Lo Low (pH 4.5-6) 3.74 7.39 -39.41 2 2 1 34 333.18 2 ↓

Analogs

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Popular Name: (S)-(2,3-dimethylphenyl)-(3-quinolyl)methanol (S)-(2,3-dimethylphenyl)-(3-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) 3.64 7.25 -8.62 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.64 7.69 -32.36 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (R)-(2,3-dimethylphenyl)-(3-quinolyl)methanol (R)-(2,3-dimethylphenyl)-(3-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) 3.64 7.18 -8.5 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.64 7.62 -32.27 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (S)-(3,4-dimethylphenyl)-(3-quinolyl)methanol (S)-(3,4-dimethylphenyl)-(3-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 7.52 -8.42 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 7.96 -32.39 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (R)-(3,4-dimethylphenyl)-(3-quinolyl)methanol (R)-(3,4-dimethylphenyl)-(3-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 7.52 -8.56 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 7.96 -32.29 2 2 1 34 264.348 2 ↓

Analogs

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Popular Name: (S)-(4-methoxy-3-methyl-phenyl)-(3-quinolyl)methanol (S)-(4-methoxy-3-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) 3.28 6.34 -9.93 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 3.28 6.78 -35.12 2 3 1 44 280.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-methoxy-3-methyl-phenyl)-(3-quinolyl)methanol (R)-(4-methoxy-3-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) 3.28 6.34 -9.95 1 3 0 42 279.339 3 ↓
Lo Low (pH 4.5-6) 3.28 6.78 -35.06 2 3 1 44 280.347 3 ↓

Analogs

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Popular Name: (R)-(4-chloro-3-fluoro-phenyl)-(3-quinolyl)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) 3.61 6.87 -10.17 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.61 7.31 -39.29 2 2 1 34 288.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-chloro-3-fluoro-phenyl)-(3-quinolyl)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) 3.61 6.85 -9.95 1 2 0 33 287.721 2 ↓
Lo Low (pH 4.5-6) 3.61 7.3 -39.5 2 2 1 34 288.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3,5-dimethylphenyl)-(3-quinolyl)methanol (S)-(3,5-dimethylphenyl)-(3-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 7.61 -8.31 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 8.05 -32.52 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3,5-dimethylphenyl)-(3-quinolyl)methanol (R)-(3,5-dimethylphenyl)-(3-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 7.62 -8.39 1 2 0 33 263.34 2 ↓
Lo Low (pH 4.5-6) 3.67 8.07 -32.48 2 2 1 34 264.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,3-difluorophenyl)-(3-quinolyl)methanol (S)-(2,3-difluorophenyl)-(3-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) 3.07 6.41 -10.76 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.07 6.85 -37.27 2 2 1 34 272.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,3-difluorophenyl)-(3-quinolyl)methanol (R)-(2,3-difluorophenyl)-(3-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) 3.07 6.41 -10.63 1 2 0 33 271.266 2 ↓
Lo Low (pH 4.5-6) 3.07 6.85 -37.21 2 2 1 34 272.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-fluoro-2-methyl-phenyl)-(3-quinolyl)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) 3.38 6.7 -9.48 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 3.38 7.14 -36.02 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-fluoro-2-methyl-phenyl)-(3-quinolyl)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) 3.38 6.8 -9.57 1 2 0 33 267.303 2 ↓
Lo Low (pH 4.5-6) 3.38 7.24 -36.23 2 2 1 34 268.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylphenyl)-(3-quinolyl)methanol (S)-(2-ethylphenyl)-(3-quinolyl)…

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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 7.3 -8.19 1 2 0 33 263.34 3 ↓
Lo Low (pH 4.5-6) 3.71 7.74 -32.19 2 2 1 34 264.348 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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