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Analogs

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Popular Name: (3R)-3-(2,4-difluorophenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2,4-difluorophenyl)-1,1-…

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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) 1.12 0.59 -13.68 1 3 0 54 248.25 1 ↓

Analogs

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Popular Name: (3S)-3-(2,4-difluorophenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2,4-difluorophenyl)-1,1-…

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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) 1.12 0.61 -14 1 3 0 54 248.25 1 ↓

Analogs

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Popular Name: (3R)-3-(2,5-difluorophenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2,5-difluorophenyl)-1,1-…

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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) 1.12 0.59 -13.11 1 3 0 54 248.25 1 ↓

Analogs

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Popular Name: (3S)-3-(2,5-difluorophenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2,5-difluorophenyl)-1,1-…

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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) 1.12 0.61 -13.03 1 3 0 54 248.25 1 ↓

Analogs

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Popular Name: (3R)-3-(2-methoxy-5-methyl-phenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2-methoxy-5-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) 1.30 0.91 -12.85 1 4 0 64 256.323 2 ↓

Analogs

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Popular Name: (3S)-3-(2-methoxy-5-methyl-phenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2-methoxy-5-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) 1.30 0.88 -12.48 1 4 0 64 256.323 2 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-(4-propoxyphenyl)thiolan-3-ol (3R)-1,1-dioxo-3-(4-propoxypheny…

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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) 1.80 1.57 -14.57 1 4 0 64 270.35 4 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-(4-propoxyphenyl)thiolan-3-ol (3S)-1,1-dioxo-3-(4-propoxypheny…

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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) 1.80 1.57 -13.79 1 4 0 64 270.35 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-(4-propylphenyl)thiolan-3-ol (3R)-1,1-dioxo-3-(4-propylphenyl…

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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) 2.17 2.77 -13.06 1 3 0 54 254.351 3 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-(4-propylphenyl)thiolan-3-ol (3S)-1,1-dioxo-3-(4-propylphenyl…

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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) 2.17 2.77 -12.25 1 3 0 54 254.351 3 ↓

Analogs

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Popular Name: (3R)-3-(3-fluoro-4-methoxy-phenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(3-fluoro-4-methoxy-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) 1.01 -0.08 -16.93 1 4 0 64 260.286 2 ↓

Analogs

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Popular Name: (3S)-3-(3-fluoro-4-methoxy-phenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(3-fluoro-4-methoxy-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) 1.01 -0.08 -16.8 1 4 0 64 260.286 2 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropoxyphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(4-isopropoxyphenyl)-1,1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 1.39 -14.64 1 4 0 64 270.35 3 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropoxyphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(4-isopropoxyphenyl)-1,1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 1.4 -13.85 1 4 0 64 270.35 3 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(4-isopropylphenyl)-1,1-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) 2.38 2.48 -12.94 1 3 0 54 254.351 2 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropylphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(4-isopropylphenyl)-1,1-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) 2.38 2.48 -12.23 1 3 0 54 254.351 2 ↓

Analogs

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Popular Name: (3R)-3-(2-ethoxyphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2-ethoxyphenyl)-1,1-diox…

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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) 1.25 1.17 -12.65 1 4 0 64 256.323 3 ↓

Analogs

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Popular Name: (3S)-3-(2-ethoxyphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2-ethoxyphenyl)-1,1-diox…

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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) 1.25 1.13 -12.21 1 4 0 64 256.323 3 ↓

Analogs

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Popular Name: (3R)-3-(2,4-dimethoxyphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2,4-dimethoxyphenyl)-1,1…

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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) 0.91 -0.46 -14.25 1 5 0 73 272.322 3 ↓

Analogs

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Popular Name: (3S)-3-(2,4-dimethoxyphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2,4-dimethoxyphenyl)-1,1…

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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) 0.91 -0.48 -13.92 1 5 0 73 272.322 3 ↓

Analogs

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Popular Name: (3R)-3-(2,4-dimethylphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2,4-dimethylphenyl)-1,1-…

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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) 1.69 1.76 -13.39 1 3 0 54 240.324 1 ↓

Analogs

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Popular Name: (3S)-3-(2,4-dimethylphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2,4-dimethylphenyl)-1,1-…

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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) 1.69 1.65 -12.96 1 3 0 54 240.324 1 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol (3R)-1,1-dioxo-3-[2-(trifluorome…

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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) 1.71 1.67 -16.44 1 3 0 54 280.267 2 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol (3S)-1,1-dioxo-3-[2-(trifluorome…

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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) 1.71 1.62 -15.62 1 3 0 54 280.267 2 ↓

Analogs

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Popular Name: (3R)-3-(3,4-difluorophenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(3,4-difluorophenyl)-1,1-…

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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) 1.12 0.66 -17.45 1 3 0 54 248.25 1 ↓

Analogs

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Popular Name: (3S)-3-(3,4-difluorophenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(3,4-difluorophenyl)-1,1-…

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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) 1.12 0.67 -16.11 1 3 0 54 248.25 1 ↓

Analogs

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Popular Name: (3R)-3-(2,5-dimethoxyphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2,5-dimethoxyphenyl)-1,1…

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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) 0.91 -0.48 -14.08 1 5 0 73 272.322 3 ↓

Analogs

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Popular Name: (3S)-3-(2,5-dimethoxyphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2,5-dimethoxyphenyl)-1,1…

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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) 0.91 -0.51 -13.47 1 5 0 73 272.322 3 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-[3-(trifluoromethoxy)phenyl]thiolan-3-ol (3R)-1,1-dioxo-3-[3-(trifluorome…

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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) 1.81 0.34 -15.07 1 4 0 64 296.266 3 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-[3-(trifluoromethoxy)phenyl]thiolan-3-ol (3S)-1,1-dioxo-3-[3-(trifluorome…

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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) 1.81 0.34 -13.77 1 4 0 64 296.266 3 ↓

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2-chlorophenyl)-1,1-diox…

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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) 1.50 0.79 -12.56 1 3 0 54 246.715 1 ↓

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2-chlorophenyl)-1,1-diox…

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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) 1.50 0.82 -12.35 1 3 0 54 246.715 1 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-(2,3,4-trifluorophenyl)thiolan-3-ol (3R)-1,1-dioxo-3-(2,3,4-trifluor…

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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) 1.21 0.65 -16.67 1 3 0 54 266.24 1 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-(2,3,4-trifluorophenyl)thiolan-3-ol (3S)-1,1-dioxo-3-(2,3,4-trifluor…

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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) 1.21 0.65 -17.31 1 3 0 54 266.24 1 ↓

Analogs

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Popular Name: (3R)-3-(3-chlorophenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(3-chlorophenyl)-1,1-diox…

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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) 1.52 1.06 -13.6 1 3 0 54 246.715 1 ↓

Analogs

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Popular Name: (3S)-3-(3-chlorophenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(3-chlorophenyl)-1,1-diox…

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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) 1.52 1.07 -13.34 1 3 0 54 246.715 1 ↓

Analogs

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Popular Name: (3R)-3-(m-tolyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(m-tolyl)-1,1-dioxo-thiol…

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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 1.22 -13.18 1 3 0 54 226.297 1 ↓

Analogs

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Popular Name: (3S)-3-(m-tolyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(m-tolyl)-1,1-dioxo-thiol…

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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 1.22 -12.5 1 3 0 54 226.297 1 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-(p-tolyl)thiolan-3-ol (3R)-1,1-dioxo-3-(p-tolyl)thiola…

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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) 1.31 1.23 -13.27 1 3 0 54 226.297 1 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-(p-tolyl)thiolan-3-ol (3S)-1,1-dioxo-3-(p-tolyl)thiola…

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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) 1.31 1.23 -12.5 1 3 0 54 226.297 1 ↓

Analogs

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Popular Name: (3R)-3-(3-fluorophenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(3-fluorophenyl)-1,1-diox…

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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) 1.00 0.62 -15.2 1 3 0 54 230.26 1 ↓

Analogs

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Popular Name: (3S)-3-(3-fluorophenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(3-fluorophenyl)-1,1-diox…

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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) 1.00 0.62 -13.91 1 3 0 54 230.26 1 ↓

Analogs

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Popular Name: (3R)-3-(o-tolyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(o-tolyl)-1,1-dioxo-thiol…

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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 1.08 -13.44 1 3 0 54 226.297 1 ↓

Analogs

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Popular Name: (3S)-3-(o-tolyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(o-tolyl)-1,1-dioxo-thiol…

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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 1 -13 1 3 0 54 226.297 1 ↓

Analogs

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Popular Name: (3R)-3-(4-methoxyphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(4-methoxyphenyl)-1,1-dio…

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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) 0.92 -0.16 -14.96 1 4 0 64 242.296 2 ↓

Analogs

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Popular Name: (3S)-3-(4-methoxyphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(4-methoxyphenyl)-1,1-dio…

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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) 0.92 -0.15 -14.17 1 4 0 64 242.296 2 ↓

Analogs

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Popular Name: (3R)-3-(2-fluorophenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2-fluorophenyl)-1,1-diox…

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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) 0.98 0.52 -13.12 1 3 0 54 230.26 1 ↓

Analogs

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Popular Name: (3S)-3-(2-fluorophenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2-fluorophenyl)-1,1-diox…

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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) 0.98 0.54 -13.35 1 3 0 54 230.26 1 ↓

Analogs

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Popular Name: (3R)-3-(2,5-dimethylphenyl)-1,1-dioxo-thiolan-3-ol (3R)-3-(2,5-dimethylphenyl)-1,1-…

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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) 1.69 1.68 -13.32 1 3 0 54 240.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2,5-dimethylphenyl)-1,1-dioxo-thiolan-3-ol (3S)-3-(2,5-dimethylphenyl)-1,1-…

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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) 1.69 1.72 -12.58 1 3 0 54 240.324 1 ↓

Parameters Provided:

ring.id = 320730
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 = 320730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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