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Popular Name: (4R)-N-[(3R)-1,1-dioxothiolan-3-yl]-6-fluoro-thiochroman-4-amine (4R)-N-[(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) 0.95 4.48 -64.22 2 3 1 51 302.416 2 ↓
Mid Mid (pH 6-8) 0.95 3.79 -13.46 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-6-fluoro-thiochroman-4-amine (4S)-N-[(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) 0.95 3.82 -63.67 2 3 1 51 302.416 2 ↓
Mid Mid (pH 6-8) 0.95 3.34 -13.23 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4R)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-fluoro-thiochroman-4-amine (4R)-N-[(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) 0.95 3.82 -63.82 2 3 1 51 302.416 2 ↓
Mid Mid (pH 6-8) 0.95 3.8 -15.64 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-fluoro-thiochroman-4-amine (4S)-N-[(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) 0.95 4.48 -64.78 2 3 1 51 302.416 2 ↓
Mid Mid (pH 6-8) 0.95 3.43 -14.18 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4S)-N-[(3R)-1,1-dioxothiolan-3-yl]-8-fluoro-thiochroman-4-amine (4S)-N-[(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) 0.93 3.79 -70.01 2 3 1 51 302.416 2 ↓
Hi High (pH 8-9.5) 0.93 3.31 -15.55 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4R)-N-[(3R)-1,1-dioxothiolan-3-yl]-8-fluoro-thiochroman-4-amine (4R)-N-[(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) 0.93 4.45 -70.13 2 3 1 51 302.416 2 ↓
Hi High (pH 8-9.5) 0.93 3.77 -15.9 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4S)-N-[(3S)-1,1-dioxothiolan-3-yl]-8-fluoro-thiochroman-4-amine (4S)-N-[(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) 0.93 4.46 -70.16 2 3 1 51 302.416 2 ↓
Hi High (pH 8-9.5) 0.93 3.39 -17.1 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4R)-N-[(3S)-1,1-dioxothiolan-3-yl]-8-fluoro-thiochroman-4-amine (4R)-N-[(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) 0.93 3.8 -69.08 2 3 1 51 302.416 2 ↓
Hi High (pH 8-9.5) 0.93 3.79 -17.49 1 3 0 46 301.408 2 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]thiochroman-4-amine (4R)-6-chloro-N-[(3R)-1,1-dioxot…

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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 4.93 -63.31 2 3 1 51 318.871 2 ↓
Hi High (pH 8-9.5) 1.47 4.24 -12.97 1 3 0 46 317.863 2 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]thiochroman-4-amine (4S)-6-chloro-N-[(3R)-1,1-dioxot…

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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 4.26 -62.55 2 3 1 51 318.871 2 ↓
Hi High (pH 8-9.5) 1.47 3.79 -12.75 1 3 0 46 317.863 2 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]thiochroman-4-amine (4R)-6-chloro-N-[(3S)-1,1-dioxot…

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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 4.26 -62.71 2 3 1 51 318.871 2 ↓
Hi High (pH 8-9.5) 1.47 4.26 -14.99 1 3 0 46 317.863 2 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]thiochroman-4-amine (4S)-6-chloro-N-[(3S)-1,1-dioxot…

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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 4.93 -63.78 2 3 1 51 318.871 2 ↓
Hi High (pH 8-9.5) 1.47 3.87 -13.78 1 3 0 46 317.863 2 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4R)-8-fluoro-N-[(3S)-3-methyl-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) 1.38 3.63 -65.46 2 3 1 51 316.443 2 ↓
Hi High (pH 8-9.5) 1.38 3.47 -15.68 1 3 0 46 315.435 2 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4R)-8-fluoro-N-[(3R)-3-methyl-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) 1.38 3.85 -65.94 2 3 1 51 316.443 2 ↓
Hi High (pH 8-9.5) 1.38 3.62 -14.99 1 3 0 46 315.435 2 ↓

Analogs

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Popular Name: (4S)-8-fluoro-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4S)-8-fluoro-N-[(3S)-3-methyl-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) 1.38 4.67 -63.93 2 3 1 51 316.443 2 ↓
Hi High (pH 8-9.5) 1.38 3.81 -15.87 1 3 0 46 315.435 2 ↓

Analogs

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Popular Name: (4S)-8-fluoro-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4S)-8-fluoro-N-[(3R)-3-methyl-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) 1.38 4.72 -63.25 2 3 1 51 316.443 2 ↓
Hi High (pH 8-9.5) 1.38 3.91 -16.28 1 3 0 46 315.435 2 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4R)-6-chloro-N-[(3S)-3-methyl-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) 1.92 4.11 -59.67 2 3 1 51 332.898 2 ↓
Hi High (pH 8-9.5) 1.92 3.94 -12.59 1 3 0 46 331.89 2 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4R)-6-chloro-N-[(3R)-3-methyl-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) 1.92 4.32 -58.25 2 3 1 51 332.898 2 ↓
Hi High (pH 8-9.5) 1.92 4.1 -12.91 1 3 0 46 331.89 2 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4S)-6-chloro-N-[(3S)-3-methyl-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) 1.92 5.14 -57.65 2 3 1 51 332.898 2 ↓
Hi High (pH 8-9.5) 1.92 4.28 -13.23 1 3 0 46 331.89 2 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiochroman-4-amine (4S)-6-chloro-N-[(3R)-3-methyl-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) 1.92 5.18 -56.92 2 3 1 51 332.898 2 ↓
Hi High (pH 8-9.5) 1.92 4.38 -13.64 1 3 0 46 331.89 2 ↓

Parameters Provided:

ring.id = 320699
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 320699 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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