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Popular Name: (R)-[(3S)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanamine (R)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 0.26 2.85 -68.01 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.26 2.52 -14.05 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (S)-[(3S)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanamine (S)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 0.26 2.86 -67.29 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.26 2.58 -13.12 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (R)-[(3R)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanamine (R)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 0.26 2.88 -64.8 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.26 2.55 -13.56 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (S)-[(3R)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanamine (S)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 0.26 2.82 -67.81 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.26 2.51 -13.05 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (1R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-(4-propoxyphenyl)methanamine (1R)-1-[(3S)-1,1-dioxothiolan-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) 2.52 4.25 -63.99 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.52 3.44 -13.2 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: (1S)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-(4-propoxyphenyl)methanamine (1S)-1-[(3S)-1,1-dioxothiolan-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) 2.52 4.6 -64.24 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.52 3.71 -12.74 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: (1R)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-(4-propoxyphenyl)methanamine (1R)-1-[(3R)-1,1-dioxothiolan-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) 2.52 4.57 -63.82 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.52 3.93 -12.39 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: (1S)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-(4-propoxyphenyl)methanamine (1S)-1-[(3R)-1,1-dioxothiolan-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) 2.52 4.27 -64.9 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.52 3.39 -12.73 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: N-[(R)-[(3S)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methyl]ethanamine N-[(R)-[(3S)-1,1-dioxothiolan-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) 2.89 5.08 -62.18 2 4 1 60 312.455 7 ↓

Analogs

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Popular Name: N-[(S)-[(3S)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methyl]ethanamine N-[(S)-[(3S)-1,1-dioxothiolan-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) 2.89 5.44 -62.44 2 4 1 60 312.455 7 ↓

Analogs

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Popular Name: N-[(R)-[(3R)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methyl]ethanamine N-[(R)-[(3R)-1,1-dioxothiolan-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) 2.89 5.4 -62.01 2 4 1 60 312.455 7 ↓

Analogs

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Popular Name: N-[(S)-[(3R)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methyl]ethanamine N-[(S)-[(3R)-1,1-dioxothiolan-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) 2.89 5.12 -63.21 2 4 1 60 312.455 7 ↓

Analogs

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Popular Name: (R)-[(3S)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanol (R)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 1.96 2.38 -14.72 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (S)-[(3S)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanol (S)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 1.96 2.58 -14.6 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (R)-[(3R)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanol (R)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 1.96 2.53 -14.67 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (S)-[(3R)-1,1-dioxothiolan-3-yl]-(4-propoxyphenyl)methanol (S)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 1.96 2.36 -14.61 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (3R)-3-[(R)-chloro-(4-propoxyphenyl)methyl]thiolane (3R)-3-[(R)-chloro-(4-propoxyphe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 5.67 -14.44 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3R)-3-[(S)-chloro-(4-propoxyphenyl)methyl]thiolane (3R)-3-[(S)-chloro-(4-propoxyphe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 5.61 -13.21 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3S)-3-[(R)-chloro-(4-propoxyphenyl)methyl]thiolane (3S)-3-[(R)-chloro-(4-propoxyphe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 5.64 -13.74 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3S)-3-[(S)-chloro-(4-propoxyphenyl)methyl]thiolane (3S)-3-[(S)-chloro-(4-propoxyphe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 5.68 -15.13 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3R)-3-[(R)-bromo-(4-propoxyphenyl)methyl]thiolane (3R)-3-[(R)-bromo-(4-propoxyphen…

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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) 3.47 5.74 -14.15 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (3R)-3-[(S)-bromo-(4-propoxyphenyl)methyl]thiolane (3R)-3-[(S)-bromo-(4-propoxyphen…

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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) 3.47 5.68 -12.99 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (3S)-3-[(R)-bromo-(4-propoxyphenyl)methyl]thiolane (3S)-3-[(R)-bromo-(4-propoxyphen…

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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) 3.47 5.69 -13.44 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (3S)-3-[(S)-bromo-(4-propoxyphenyl)methyl]thiolane (3S)-3-[(S)-bromo-(4-propoxyphen…

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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) 3.47 5.75 -14.78 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (R)-[(3S)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanamine (R)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 0.24 2.85 -66.37 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.24 2.51 -13.21 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (S)-[(3S)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanamine (S)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 0.24 2.85 -66.24 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.24 2.57 -13.15 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (R)-[(3R)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanamine (R)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 0.24 2.87 -63.49 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.24 2.54 -13.41 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (S)-[(3R)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanamine (S)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 0.24 2.82 -66.67 3 4 1 71 284.401 5 ↓
Hi High (pH 8-9.5) 0.24 2.51 -12.58 2 4 0 69 283.393 5 ↓

Analogs

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Popular Name: (1R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-(3-propoxyphenyl)methanamine (1R)-1-[(3S)-1,1-dioxothiolan-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) 2.49 4.25 -63.17 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.49 3.44 -12.35 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: (1S)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-(3-propoxyphenyl)methanamine (1S)-1-[(3S)-1,1-dioxothiolan-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) 2.49 4.61 -63.06 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.49 3.7 -12.91 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: (1R)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-(3-propoxyphenyl)methanamine (1R)-1-[(3R)-1,1-dioxothiolan-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) 2.49 4.57 -63.13 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.49 3.93 -12.02 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: (1S)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-(3-propoxyphenyl)methanamine (1S)-1-[(3R)-1,1-dioxothiolan-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) 2.49 4.27 -64.2 2 4 1 60 298.428 6 ↓
Hi High (pH 8-9.5) 2.49 3.39 -12.32 1 4 0 55 297.42 6 ↓

Analogs

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Popular Name: N-[(R)-[(3S)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methyl]ethanamine N-[(R)-[(3S)-1,1-dioxothiolan-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) 2.87 5.08 -61.1 2 4 1 60 312.455 7 ↓
Hi High (pH 8-9.5) 2.87 4.37 -12.2 1 4 0 55 311.447 7 ↓

Analogs

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Popular Name: N-[(S)-[(3S)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methyl]ethanamine N-[(S)-[(3S)-1,1-dioxothiolan-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) 2.87 5.44 -61.01 2 4 1 60 312.455 7 ↓
Hi High (pH 8-9.5) 2.87 4.6 -12.66 1 4 0 55 311.447 7 ↓

Analogs

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Popular Name: N-[(R)-[(3R)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methyl]ethanamine N-[(R)-[(3R)-1,1-dioxothiolan-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) 2.87 5.4 -61.1 2 4 1 60 312.455 7 ↓
Hi High (pH 8-9.5) 2.87 4.82 -11.91 1 4 0 55 311.447 7 ↓

Analogs

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Popular Name: N-[(S)-[(3R)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methyl]ethanamine N-[(S)-[(3R)-1,1-dioxothiolan-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) 2.87 5.12 -62.31 2 4 1 60 312.455 7 ↓
Hi High (pH 8-9.5) 2.87 4.33 -12.2 1 4 0 55 311.447 7 ↓

Analogs

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Popular Name: (R)-[(3S)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanol (R)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 1.94 2.38 -13.93 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (S)-[(3S)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanol (S)-[(3S)-1,1-dioxothiolan-3-yl]…

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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) 1.94 2.58 -14.68 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (R)-[(3R)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanol (R)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 1.94 2.52 -14.71 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (S)-[(3R)-1,1-dioxothiolan-3-yl]-(3-propoxyphenyl)methanol (S)-[(3R)-1,1-dioxothiolan-3-yl]…

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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) 1.94 2.36 -14.14 1 4 0 64 284.377 5 ↓

Analogs

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Popular Name: (3R)-3-[(R)-chloro-(3-propoxyphenyl)methyl]thiolane (3R)-3-[(R)-chloro-(3-propoxyphe…

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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 5.66 -13.24 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3R)-3-[(S)-chloro-(3-propoxyphenyl)methyl]thiolane (3R)-3-[(S)-chloro-(3-propoxyphe…

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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 5.6 -12.83 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3S)-3-[(R)-chloro-(3-propoxyphenyl)methyl]thiolane (3S)-3-[(R)-chloro-(3-propoxyphe…

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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 5.63 -13.34 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3S)-3-[(S)-chloro-(3-propoxyphenyl)methyl]thiolane (3S)-3-[(S)-chloro-(3-propoxyphe…

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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 5.68 -15.68 0 3 0 43 302.823 5 ↓

Analogs

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Popular Name: (3R)-3-[(R)-bromo-(3-propoxyphenyl)methyl]thiolane (3R)-3-[(R)-bromo-(3-propoxyphen…

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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) 3.44 5.73 -13 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (3R)-3-[(S)-bromo-(3-propoxyphenyl)methyl]thiolane (3R)-3-[(S)-bromo-(3-propoxyphen…

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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) 3.44 5.67 -12.65 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (3S)-3-[(R)-bromo-(3-propoxyphenyl)methyl]thiolane (3S)-3-[(R)-bromo-(3-propoxyphen…

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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) 3.44 5.68 -13.07 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (3S)-3-[(S)-bromo-(3-propoxyphenyl)methyl]thiolane (3S)-3-[(S)-bromo-(3-propoxyphen…

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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) 3.44 5.74 -15.33 0 3 0 43 347.274 5 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenyl-butan-1-amine (2S)-2-[(3S)-1,1-dioxothiolan-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) 2.54 4.73 -52.05 2 3 1 51 282.429 5 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenyl-butan-1-amine (2R)-2-[(3S)-1,1-dioxothiolan-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) 2.54 4.7 -55.78 2 3 1 51 282.429 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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