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Analogs

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Popular Name: (2S)-2-(3-chlorophenyl)-2,3-dihydropyran-4-one (2S)-2-(3-chlorophenyl)-2,3-dihy…

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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) 2.01 6.19 -8.74 0 2 0 26 208.644 1 ↓

Analogs

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Popular Name: (2R)-2-(3-chlorophenyl)-2,3-dihydropyran-4-one (2R)-2-(3-chlorophenyl)-2,3-dihy…

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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) 2.01 6.18 -8.8 0 2 0 26 208.644 1 ↓

Analogs

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Popular Name: (2S)-2-(5-bromo-2-fluoro-phenyl)-2,3-dihydropyran-4-one (2S)-2-(5-bromo-2-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) 2.26 6.34 -7.99 0 2 0 26 271.085 1 ↓

Analogs

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Popular Name: (2R)-2-(5-bromo-2-fluoro-phenyl)-2,3-dihydropyran-4-one (2R)-2-(5-bromo-2-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) 2.26 6.34 -7.99 0 2 0 26 271.085 1 ↓

Analogs

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Popular Name: (2S)-2-(2,3-dichlorophenyl)-2,3-dihydropyran-4-one (2S)-2-(2,3-dichlorophenyl)-2,3-…

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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) 2.62 6.59 -9.3 0 2 0 26 243.089 1 ↓

Analogs

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Popular Name: (2R)-2-(2,3-dichlorophenyl)-2,3-dihydropyran-4-one (2R)-2-(2,3-dichlorophenyl)-2,3-…

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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) 2.62 6.59 -9.3 0 2 0 26 243.089 1 ↓

Analogs

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Popular Name: (2S)-2-(2-fluorophenyl)-2,3-dihydropyran-4-one (2S)-2-(2-fluorophenyl)-2,3-dihy…

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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) 1.47 5.73 -9.04 0 2 0 26 192.189 1 ↓

Analogs

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Popular Name: (2R)-2-(2-fluorophenyl)-2,3-dihydropyran-4-one (2R)-2-(2-fluorophenyl)-2,3-dihy…

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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) 1.47 5.73 -9.04 0 2 0 26 192.189 1 ↓

Analogs

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Popular Name: (2S)-2-(4-methoxy-3-methyl-phenyl)-2,3-dihydropyran-4-one (2S)-2-(4-methoxy-3-methyl-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 5.72 -9.37 0 3 0 36 218.252 2 ↓

Analogs

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Popular Name: (2R)-2-(4-methoxy-3-methyl-phenyl)-2,3-dihydropyran-4-one (2R)-2-(4-methoxy-3-methyl-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 5.71 -9.38 0 3 0 36 218.252 2 ↓

Analogs

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Popular Name: (2S)-2-(3-bromo-4-methoxy-phenyl)-2,3-dihydropyran-4-one (2S)-2-(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) 2.15 5.64 -10.77 0 3 0 36 283.121 2 ↓

Analogs

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Popular Name: (2R)-2-(3-bromo-4-methoxy-phenyl)-2,3-dihydropyran-4-one (2R)-2-(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) 2.15 5.64 -10.85 0 3 0 36 283.121 2 ↓

Analogs

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Popular Name: (2S)-2-(2,5-dimethylphenyl)-2,3-dihydropyran-4-one (2S)-2-(2,5-dimethylphenyl)-2,3-…

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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) 2.18 6.84 -7.89 0 2 0 26 202.253 1 ↓

Analogs

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Popular Name: (2R)-2-(2,5-dimethylphenyl)-2,3-dihydropyran-4-one (2R)-2-(2,5-dimethylphenyl)-2,3-…

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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) 2.18 6.9 -7.93 0 2 0 26 202.253 1 ↓

Analogs

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Popular Name: (2S)-2-(m-tolyl)-2,3-dihydropyran-4-one (2S)-2-(m-tolyl)-2,3-dihydropyra…

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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) 1.78 6.34 -7.96 0 2 0 26 188.226 1 ↓

Analogs

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Popular Name: (2S)-2-(2,6-difluorophenyl)-2,3-dihydropyran-4-one (2S)-2-(2,6-difluorophenyl)-2,3-…

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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) 1.59 5.72 -9.46 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: (2R)-2-(2,6-difluorophenyl)-2,3-dihydropyran-4-one (2R)-2-(2,6-difluorophenyl)-2,3-…

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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) 1.59 5.73 -9.46 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: (2S)-2-(2,4-dimethylphenyl)-2,3-dihydropyran-4-one (2S)-2-(2,4-dimethylphenyl)-2,3-…

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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) 2.18 6.9 -7.88 0 2 0 26 202.253 1 ↓

Analogs

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Popular Name: (2R)-2-(2,4-dimethylphenyl)-2,3-dihydropyran-4-one (2R)-2-(2,4-dimethylphenyl)-2,3-…

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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) 2.18 6.84 -7.86 0 2 0 26 202.253 1 ↓

Analogs

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Popular Name: 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]benzonitrile 4-[(2R)-4-oxo-2,3-dihydropyran-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.11 6.05 -11.81 0 3 0 50 199.209 1 ↓

Analogs

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Popular Name: (2S)-2-(3-methoxyphenyl)-2,3-dihydropyran-4-one (2S)-2-(3-methoxyphenyl)-2,3-dih…

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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) 1.39 4.98 -9.33 0 3 0 36 204.225 2 ↓

Analogs

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Popular Name: (2R)-2-(3-methoxyphenyl)-2,3-dihydropyran-4-one (2R)-2-(3-methoxyphenyl)-2,3-dih…

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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) 1.39 4.95 -9.27 0 3 0 36 204.225 2 ↓

Analogs

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Popular Name: (2S)-2-(2,5-difluorophenyl)-2,3-dihydropyran-4-one (2S)-2-(2,5-difluorophenyl)-2,3-…

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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) 1.61 5.8 -8.46 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: (2R)-2-(2,5-difluorophenyl)-2,3-dihydropyran-4-one (2R)-2-(2,5-difluorophenyl)-2,3-…

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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) 1.61 5.81 -8.46 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: (2S)-2-(2-ethylphenyl)-2,3-dihydropyran-4-one (2S)-2-(2-ethylphenyl)-2,3-dihyd…

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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) 2.22 6.84 -7.65 0 2 0 26 202.253 2 ↓

Analogs

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Popular Name: (2R)-2-(2-ethylphenyl)-2,3-dihydropyran-4-one (2R)-2-(2-ethylphenyl)-2,3-dihyd…

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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) 2.22 6.83 -7.64 0 2 0 26 202.253 2 ↓

Analogs

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Popular Name: (2S)-2-(2,3-difluorophenyl)-2,3-dihydropyran-4-one (2S)-2-(2,3-difluorophenyl)-2,3-…

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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) 1.59 5.78 -10.91 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: (2R)-2-(2,3-difluorophenyl)-2,3-dihydropyran-4-one (2R)-2-(2,3-difluorophenyl)-2,3-…

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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) 1.59 5.78 -10.89 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: (2S)-2-(3,4-difluorophenyl)-2,3-dihydropyran-4-one (2S)-2-(3,4-difluorophenyl)-2,3-…

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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) 1.61 5.81 -11.12 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: (2R)-2-(3,4-difluorophenyl)-2,3-dihydropyran-4-one (2R)-2-(3,4-difluorophenyl)-2,3-…

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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) 1.61 5.79 -11.15 0 2 0 26 210.179 1 ↓

Analogs

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Popular Name: 3-[(2S)-4-oxo-2,3-dihydropyran-2-yl]benzonitrile 3-[(2S)-4-oxo-2,3-dihydropyran-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 6.06 -11.76 0 3 0 50 199.209 1 ↓

Analogs

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Popular Name: 3-[(2R)-4-oxo-2,3-dihydropyran-2-yl]benzonitrile 3-[(2R)-4-oxo-2,3-dihydropyran-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 6.05 -11.73 0 3 0 50 199.209 1 ↓

Analogs

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Popular Name: (2S)-2-(2-nitrophenyl)-2,3-dihydropyran-4-one (2S)-2-(2-nitrophenyl)-2,3-dihyd…

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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) 1.27 6.14 -13.87 0 5 0 72 219.196 2 ↓

Analogs

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Popular Name: (2R)-2-(2-nitrophenyl)-2,3-dihydropyran-4-one (2R)-2-(2-nitrophenyl)-2,3-dihyd…

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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) 1.27 6.12 -13.78 0 5 0 72 219.196 2 ↓

Analogs

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Popular Name: (2S)-2-(4-bromo-2-fluoro-phenyl)-2,3-dihydropyran-4-one (2S)-2-(4-bromo-2-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) 2.26 6.35 -8.31 0 2 0 26 271.085 1 ↓

Analogs

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Popular Name: (2R)-2-(4-bromo-2-fluoro-phenyl)-2,3-dihydropyran-4-one (2R)-2-(4-bromo-2-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) 2.26 6.35 -8.32 0 2 0 26 271.085 1 ↓

Analogs

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Popular Name: (2S)-2-(3,5-dimethylphenyl)-2,3-dihydropyran-4-one (2S)-2-(3,5-dimethylphenyl)-2,3-…

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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) 2.18 7.01 -8 0 2 0 26 202.253 1 ↓

Analogs

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Popular Name: (2R)-2-(3,5-dimethylphenyl)-2,3-dihydropyran-4-one (2R)-2-(3,5-dimethylphenyl)-2,3-…

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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) 2.18 6.99 -8.01 0 2 0 26 202.253 1 ↓

Analogs

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Popular Name: (2S)-2-(o-tolyl)-2,3-dihydropyran-4-one (2S)-2-(o-tolyl)-2,3-dihydropyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 6.24 -7.84 0 2 0 26 188.226 1 ↓

Analogs

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Popular Name: (2R)-2-(o-tolyl)-2,3-dihydropyran-4-one (2R)-2-(o-tolyl)-2,3-dihydropyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 6.17 -7.87 0 2 0 26 188.226 1 ↓

Analogs

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Popular Name: (2S)-2-(3-nitrophenyl)-2,3-dihydropyran-4-one (2S)-2-(3-nitrophenyl)-2,3-dihyd…

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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) 1.29 6.38 -12.82 0 5 0 72 219.196 2 ↓

Analogs

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Popular Name: (2R)-2-(3-nitrophenyl)-2,3-dihydropyran-4-one (2R)-2-(3-nitrophenyl)-2,3-dihyd…

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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) 1.29 6.38 -12.77 0 5 0 72 219.196 2 ↓

Analogs

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Popular Name: (2S)-2-(3-bromo-4-fluoro-phenyl)-2,3-dihydropyran-4-one (2S)-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) 2.26 6.33 -10.17 0 2 0 26 271.085 1 ↓

Analogs

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Popular Name: (2R)-2-(3-bromo-4-fluoro-phenyl)-2,3-dihydropyran-4-one (2R)-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) 2.26 6.33 -10.18 0 2 0 26 271.085 1 ↓

Analogs

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Popular Name: (2S)-2-(4-isopropylphenyl)-2,3-dihydropyran-4-one (2S)-2-(4-isopropylphenyl)-2,3-d…

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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) 2.87 7.61 -7.78 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: (2R)-2-(4-isopropylphenyl)-2,3-dihydropyran-4-one (2R)-2-(4-isopropylphenyl)-2,3-d…

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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) 2.87 7.6 -7.77 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: (2S)-2-(4-methylsulfanylphenyl)-2,3-dihydropyran-4-one (2S)-2-(4-methylsulfanylphenyl)-…

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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) 1.79 6.7 -9.18 0 2 0 26 220.293 2 ↓

Analogs

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Popular Name: (2R)-2-(4-methylsulfanylphenyl)-2,3-dihydropyran-4-one (2R)-2-(4-methylsulfanylphenyl)-…

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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) 1.79 6.69 -9.19 0 2 0 26 220.293 2 ↓

Analogs

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Popular Name: (2S)-2-(4-fluoro-3-methyl-phenyl)-2,3-dihydropyran-4-one (2S)-2-(4-fluoro-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) 1.90 6.39 -9.02 0 2 0 26 206.216 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-fluoro-3-methyl-phenyl)-2,3-dihydropyran-4-one (2R)-2-(4-fluoro-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) 1.90 6.36 -9 0 2 0 26 206.216 1 ↓

Parameters Provided:

ring.id = 479911
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 = 479911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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