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Analogs

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Popular Name: (3R)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2S,6R)-2,6-dimethylm…

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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) 0.22 0.01 -62.84 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.22 -1.16 -11.87 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.22 2.28 -149.49 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2S,6S)-2,6-dimethylm…

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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) 0.22 0.31 -62.95 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.22 -0.86 -11.73 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.22 2.22 -148.76 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2R,6R)-2,6-dimethylm…

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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) 0.22 0.3 -62.91 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.22 -0.87 -11.7 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.22 2.24 -148.85 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2R)-2-methylmorpholi…

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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) -0.14 -0.73 -62.46 2 5 1 63 263.383 4 ↓
Mid Mid (pH 6-8) -0.14 -1.9 -11.91 1 5 0 59 262.375 4 ↓
Lo Low (pH 4.5-6) -0.14 1.53 -147.74 3 5 2 64 264.391 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2S)-2-methylmorpholi…

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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) -0.14 -0.72 -62.6 2 5 1 63 263.383 4 ↓
Mid Mid (pH 6-8) -0.14 -1.89 -12.13 1 5 0 59 262.375 4 ↓
Lo Low (pH 4.5-6) -0.14 1.54 -147.78 3 5 2 64 264.391 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(3R)-3-methylmorpholi…

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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) -0.18 -0.88 -62.42 2 5 1 63 263.383 4 ↓
Mid Mid (pH 6-8) -0.18 -2.05 -11.8 1 5 0 59 262.375 4 ↓
Lo Low (pH 4.5-6) -0.18 1.3 -144.52 3 5 2 64 264.391 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(3S)-3-methylmorpholi…

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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) -0.18 -0.87 -62.57 2 5 1 63 263.383 4 ↓
Mid Mid (pH 6-8) -0.18 -2.04 -12.03 1 5 0 59 262.375 4 ↓
Lo Low (pH 4.5-6) -0.18 1.31 -144.67 3 5 2 64 264.391 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2R,5R)-2,5-dimethylm…

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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) 0.19 -0.29 -62.96 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.19 -1.45 -11.76 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.19 1.89 -147.53 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2S,5R)-2,5-dimethylm…

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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) 0.19 -0.13 -62.89 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.19 -1.3 -11.8 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.19 2.05 -146.18 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2R)-2-ethylmorpholin…

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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) 0.36 0.1 -62.33 2 5 1 63 277.41 5 ↓
Mid Mid (pH 6-8) 0.36 -1.07 -11.74 1 5 0 59 276.402 5 ↓
Lo Low (pH 4.5-6) 0.36 2.36 -148.91 3 5 2 64 278.418 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2S)-2-ethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2S)-2-ethylmorpholin…

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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) 0.36 0.11 -62.43 2 5 1 63 277.41 5 ↓
Mid Mid (pH 6-8) 0.36 -1.06 -11.91 1 5 0 59 276.402 5 ↓
Lo Low (pH 4.5-6) 0.36 2.37 -148.95 3 5 2 64 278.418 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2,2-dimethylmorpholin…

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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) 0.30 0.18 -62.83 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.30 -0.99 -11.69 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.30 2.13 -148.71 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2,2-dimethylmorpholin…

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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) 0.30 0.21 -63.05 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.30 -0.95 -12.48 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.30 2.15 -149.06 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(3R)-3-ethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(3R)-3-ethylmorpholin…

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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) 0.36 -0.24 -62.85 2 5 1 63 277.41 5 ↓
Mid Mid (pH 6-8) 0.36 -1.41 -11.62 1 5 0 59 276.402 5 ↓
Lo Low (pH 4.5-6) 0.36 1.91 -146.78 3 5 2 64 278.418 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(3S)-3-ethylmorpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(3S)-3-ethylmorpholin…

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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) 0.36 -0.22 -62.99 2 5 1 63 277.41 5 ↓
Mid Mid (pH 6-8) 0.36 -1.4 -11.9 1 5 0 59 276.402 5 ↓
Lo Low (pH 4.5-6) 0.36 1.93 -146.92 3 5 2 64 278.418 5 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-[(6R)-2,2,6-…

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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) 0.67 0.92 -63.42 2 5 1 63 291.437 4 ↓
Mid Mid (pH 6-8) 0.67 -0.25 -12.01 1 5 0 59 290.429 4 ↓
Lo Low (pH 4.5-6) 0.67 2.87 -150.52 3 5 2 64 292.445 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-[(6S)-2,2,6-…

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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) 0.67 0.91 -63.18 2 5 1 63 291.437 4 ↓
Mid Mid (pH 6-8) 0.67 -0.26 -11.73 1 5 0 59 290.429 4 ↓
Lo Low (pH 4.5-6) 0.67 2.87 -150.38 3 5 2 64 292.445 4 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2R,5R)-5-ethyl-2-met…

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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) 0.72 0.79 -63.44 2 5 1 63 291.437 5 ↓
Mid Mid (pH 6-8) 0.72 -0.39 -11.46 1 5 0 59 290.429 5 ↓
Lo Low (pH 4.5-6) 0.72 2.62 -147.77 3 5 2 64 292.445 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2R,5S)-5-ethyl-2-met…

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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) 0.72 0.53 -63.41 2 5 1 63 291.437 5 ↓
Mid Mid (pH 6-8) 0.72 -0.65 -11.9 1 5 0 59 290.429 5 ↓
Lo Low (pH 4.5-6) 0.72 2.69 -148.59 3 5 2 64 292.445 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2S,5R)-5-ethyl-2-met…

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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) 0.72 0.51 -63.23 2 5 1 63 291.437 5 ↓
Mid Mid (pH 6-8) 0.72 -0.66 -11.62 1 5 0 59 290.429 5 ↓
Lo Low (pH 4.5-6) 0.72 2.67 -148.39 3 5 2 64 292.445 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(2S,5S)-5-ethyl-2-met…

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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) 0.72 0.81 -63.52 2 5 1 63 291.437 5 ↓
Mid Mid (pH 6-8) 0.72 -0.37 -11.72 1 5 0 59 290.429 5 ↓
Lo Low (pH 4.5-6) 0.72 2.65 -147.98 3 5 2 64 292.445 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(3,3-dimethylmorpholin…

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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) 0.30 -0.49 -62.85 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.30 -1.65 -11.69 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.30 1.61 -144.48 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(3,3-dimethylmorpholin…

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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) 0.30 -0.49 -62.81 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.30 -1.63 -12.32 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.30 1.61 -144.67 3 5 2 64 278.418 4 ↓

Analogs

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Popular Name: (3R)-N-[(2S)-4-methyl-2-morpholino-pentyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(2S)-4-methyl-2-morpholi…

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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) 1.13 1.29 -63.93 2 5 1 63 305.464 6 ↓
Hi High (pH 8-9.5) 1.13 0.3 -11.37 1 5 0 59 304.456 6 ↓
Lo Low (pH 4.5-6) 1.13 3.06 -152.77 3 5 2 64 306.472 6 ↓

Analogs

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Popular Name: (3R)-N-[(2R)-4-methyl-2-morpholino-pentyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(2R)-4-methyl-2-morpholi…

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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) 1.13 1.31 -62.48 2 5 1 63 305.464 6 ↓
Hi High (pH 8-9.5) 1.13 -0.14 -11.7 1 5 0 59 304.456 6 ↓
Lo Low (pH 4.5-6) 1.13 3.28 -153.74 3 5 2 64 306.472 6 ↓

Analogs

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Popular Name: (3S)-N-[(2S)-4-methyl-2-morpholino-pentyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(2S)-4-methyl-2-morpholi…

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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) 1.13 1.31 -63.82 2 5 1 63 305.464 6 ↓
Hi High (pH 8-9.5) 1.13 0.34 -11.76 1 5 0 59 304.456 6 ↓
Lo Low (pH 4.5-6) 1.13 3.12 -151.97 3 5 2 64 306.472 6 ↓

Analogs

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Popular Name: (3S)-N-[(2R)-4-methyl-2-morpholino-pentyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(2R)-4-methyl-2-morpholi…

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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) 1.13 1.32 -62.7 2 5 1 63 305.464 6 ↓
Hi High (pH 8-9.5) 1.13 -0.12 -12.57 1 5 0 59 304.456 6 ↓
Lo Low (pH 4.5-6) 1.13 3.29 -153.34 3 5 2 64 306.472 6 ↓

Parameters Provided:

ring.id = 47516
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 = 47516 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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