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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-(morpholinomethyl)anilino]methylene]propanedinitrile 2-[[2-(morpholinomethyl)anilino]…

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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) 1.08 4.91 -10.52 1 5 0 72 268.32 4 ↓
Lo Low (pH 4.5-6) 1.08 7.33 -45.48 2 5 1 73 269.328 4 ↓

Analogs

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Popular Name: N-[4-(morpholinomethyl)phenyl]pentanamide N-[4-(morpholinomethyl)phenyl]pe…

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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) 2.71 4.83 -11.02 1 4 0 42 276.38 6 ↓

Analogs

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Popular Name: 2-[4-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetic 2-[4-[[(2S)-2-(trifluoromethyl)m…

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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 5.57 -46.83 0 5 -1 62 318.271 6 ↓

Analogs

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Popular Name: 2-[4-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetic 2-[4-[[(2R)-2-(trifluoromethyl)m…

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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 5.57 -46.91 0 5 -1 62 318.271 6 ↓

Analogs

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Popular Name: 2-[isopropyl(methyl)amino]-N-[[2-(morpholinomethyl)phenyl]methyl]acetamide 2-[isopropyl(methyl)amino]-N-[[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) 1.62 5.77 -35.3 2 5 1 46 320.457 7 ↓
Hi High (pH 8-9.5) 1.62 3.54 -6.26 1 5 0 45 319.449 7 ↓
Lo Low (pH 4.5-6) 1.62 8.44 -95.39 3 5 2 47 321.465 7 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-methylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2S)-2-[(2R)-2-methylmorpholin-4…

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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) 1.87 3.64 -47.82 3 4 1 49 279.404 6 ↓
Lo Low (pH 4.5-6) 1.87 5.56 -123.96 4 4 2 51 280.412 6 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2R)-2-[(2R)-2-methylmorpholin-4…

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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) 1.87 3.38 -50.29 3 4 1 49 279.404 6 ↓
Lo Low (pH 4.5-6) 1.87 5.56 -123.85 4 4 2 51 280.412 6 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-methylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2S)-2-[(3S)-3-methylmorpholin-4…

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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) 1.84 3.08 -50.17 3 4 1 49 279.404 6 ↓
Lo Low (pH 4.5-6) 1.84 4.9 -130.51 4 4 2 51 280.412 6 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-methylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2R)-2-[(3S)-3-methylmorpholin-4…

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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) 1.84 3.54 -48.59 3 4 1 49 279.404 6 ↓
Lo Low (pH 4.5-6) 1.84 5.24 -122.79 4 4 2 51 280.412 6 ↓

Analogs

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Popular Name: (2S)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2S)-2-[(2S,5S)-2,5-dimethylmorp…

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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) 2.20 4.04 -48.02 3 4 1 49 293.431 6 ↓
Lo Low (pH 4.5-6) 2.20 5.89 -122.32 4 4 2 51 294.439 6 ↓

Analogs

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Popular Name: (2R)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2R)-2-[(2S,5S)-2,5-dimethylmorp…

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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) 2.20 4.02 -48.76 3 4 1 49 293.431 6 ↓
Lo Low (pH 4.5-6) 2.20 5.93 -121.78 4 4 2 51 294.439 6 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2S)-2-[(2R)-2-ethylmorpholin-4-…

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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 4.47 -47.65 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.38 6.39 -124.86 4 4 2 51 294.439 7 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-ethylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2R)-2-[(2R)-2-ethylmorpholin-4-…

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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 4.22 -50.17 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.38 6.38 -125.46 4 4 2 51 294.439 7 ↓

Analogs

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Popular Name: (2S)-2-(2,2-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine (2S)-2-(2,2-dimethylmorpholin-4-…

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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) 2.32 4.28 -51.37 3 4 1 49 293.431 6 ↓
Lo Low (pH 4.5-6) 2.32 6.14 -124.59 4 4 2 51 294.439 6 ↓

Analogs

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Popular Name: (2R)-2-(2,2-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine (2R)-2-(2,2-dimethylmorpholin-4-…

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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) 2.32 4.59 -47.84 3 4 1 49 293.431 6 ↓
Lo Low (pH 4.5-6) 2.32 6.17 -124.1 4 4 2 51 294.439 6 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-ethylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2S)-2-[(3S)-3-ethylmorpholin-4-…

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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 3.08 -50.1 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.38 5.45 -132.49 4 4 2 51 294.439 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-3-ethylmorpholin-4-yl]-2-(4-propoxyphenyl)ethanamine (2R)-2-[(3S)-3-ethylmorpholin-4-…

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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 4.01 -48.1 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.38 5.88 -123.62 4 4 2 51 294.439 7 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 2.32 3.8 -50.47 3 4 1 49 293.431 6 ↓
Lo Low (pH 4.5-6) 2.32 5.38 -125.79 4 4 2 51 294.439 6 ↓

Analogs

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-2-(4-propoxyphenyl)ethanamine (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 2.32 3.98 -50.75 3 4 1 49 293.431 6 ↓
Lo Low (pH 4.5-6) 2.32 5.38 -128.36 4 4 2 51 294.439 6 ↓

Analogs

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Popular Name: (2S)-2-morpholino-2-(4-propoxyphenyl)acetic (2S)-2-morpholino-2-(4-propoxyph…

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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) 1.95 5.57 -46.8 0 5 -1 62 278.328 6 ↓
Mid Mid (pH 6-8) 1.95 7.53 -28.06 1 5 0 63 279.336 6 ↓

Analogs

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Popular Name: (2R)-2-morpholino-2-(4-propoxyphenyl)acetic (2R)-2-morpholino-2-(4-propoxyph…

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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) 1.95 5.57 -46.85 0 5 -1 62 278.328 6 ↓
Mid Mid (pH 6-8) 1.95 7.57 -28.72 1 5 0 63 279.336 6 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-methylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2S)-2-[(2R)-2-methylmorpholin-4…

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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) 1.85 3.64 -44.65 3 4 1 49 279.404 6 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2R)-2-[(2R)-2-methylmorpholin-4…

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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) 1.85 3.39 -47.86 3 4 1 49 279.404 6 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-methylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2S)-2-[(3S)-3-methylmorpholin-4…

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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) 1.82 3.08 -47.74 3 4 1 49 279.404 6 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-methylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2R)-2-[(3S)-3-methylmorpholin-4…

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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) 1.82 3.53 -46.5 3 4 1 49 279.404 6 ↓

Analogs

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Popular Name: (2S)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2S)-2-[(2S,5S)-2,5-dimethylmorp…

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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 4.04 -44.78 3 4 1 49 293.431 6 ↓

Analogs

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Popular Name: (2R)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2R)-2-[(2S,5S)-2,5-dimethylmorp…

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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 4.01 -47.89 3 4 1 49 293.431 6 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-ethylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2S)-2-[(2R)-2-ethylmorpholin-4-…

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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) 2.35 4.47 -44.46 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.35 6.39 -121.36 4 4 2 51 294.439 7 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-ethylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2R)-2-[(2R)-2-ethylmorpholin-4-…

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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) 2.35 4.23 -47.74 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.35 6.39 -121.95 4 4 2 51 294.439 7 ↓

Analogs

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Popular Name: (2S)-2-(2,2-dimethylmorpholin-4-yl)-2-(3-propoxyphenyl)ethanamine (2S)-2-(2,2-dimethylmorpholin-4-…

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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) 2.30 4.56 -44.93 3 4 1 49 293.431 6 ↓

Analogs

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Popular Name: (2R)-2-(2,2-dimethylmorpholin-4-yl)-2-(3-propoxyphenyl)ethanamine (2R)-2-(2,2-dimethylmorpholin-4-…

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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) 2.30 4.59 -44.8 3 4 1 49 293.431 6 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-ethylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2S)-2-[(3S)-3-ethylmorpholin-4-…

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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) 2.35 3.08 -47.95 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.35 5.44 -130.91 4 4 2 51 294.439 7 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-ethylmorpholin-4-yl]-2-(3-propoxyphenyl)ethanamine (2R)-2-[(3S)-3-ethylmorpholin-4-…

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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) 2.35 4.01 -46.44 3 4 1 49 293.431 7 ↓
Lo Low (pH 4.5-6) 2.35 5.87 -121.19 4 4 2 51 294.439 7 ↓

Analogs

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Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)-2-(3-propoxyphenyl)ethanamine (2S)-2-(3,3-dimethylmorpholin-4-…

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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) 2.30 3.41 -48.92 3 4 1 49 293.431 6 ↓

Analogs

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)-2-(3-propoxyphenyl)ethanamine (2R)-2-(3,3-dimethylmorpholin-4-…

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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) 2.30 3.4 -49.03 3 4 1 49 293.431 6 ↓

Analogs

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Popular Name: (2S)-2-morpholino-2-(3-propoxyphenyl)acetic (2S)-2-morpholino-2-(3-propoxyph…

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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) 1.93 5.57 -49.13 0 5 -1 62 278.328 6 ↓
Mid Mid (pH 6-8) 1.93 7.57 -29.66 1 5 0 63 279.336 6 ↓

Analogs

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Popular Name: (2R)-2-morpholino-2-(3-propoxyphenyl)acetic (2R)-2-morpholino-2-(3-propoxyph…

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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) 1.93 5.64 -48.77 0 5 -1 62 278.328 6 ↓
Mid Mid (pH 6-8) 1.93 7.53 -29.14 1 5 0 63 279.336 6 ↓

Analogs

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Popular Name: (2S)-2-(3-fluoro-4-methoxy-phenyl)-2-morpholino-ethanamine (2S)-2-(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) 0.72 0.95 -55.01 3 4 1 49 255.313 4 ↓
Lo Low (pH 4.5-6) 0.72 3.16 -129.75 4 4 2 51 256.321 4 ↓

Analogs

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Popular Name: (2R)-2-(3-fluoro-4-methoxy-phenyl)-2-morpholino-ethanamine (2R)-2-(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) 0.72 0.98 -53.68 3 4 1 49 255.313 4 ↓
Lo Low (pH 4.5-6) 0.72 3.15 -129.63 4 4 2 51 256.321 4 ↓

Analogs

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Popular Name: 2,6-dimethyl-4-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]phenol 2,6-dimethyl-4-[[(2S)-2-(trifluo…

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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) 3.03 3.36 -5.21 1 3 0 33 289.297 3 ↓

Analogs

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Popular Name: 2,6-dimethyl-4-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]phenol 2,6-dimethyl-4-[[(2R)-2-(trifluo…

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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) 3.03 3.36 -5.23 1 3 0 33 289.297 3 ↓

Analogs

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Popular Name: [(2S,6R)-4-[(2-chlorophenyl)methyl]-6-methyl-morpholin-2-yl]methanamine [(2S,6R)-4-[(2-chlorophenyl)meth…

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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) 1.37 3 -40.78 3 3 1 40 255.769 3 ↓
Hi High (pH 8-9.5) 1.37 2.62 -3.68 2 3 0 38 254.761 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-4-[(2-chlorophenyl)methyl]-6-methyl-morpholin-2-yl]methanamine [(2S,6S)-4-[(2-chlorophenyl)meth…

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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) 1.37 3.28 -40.76 3 3 1 40 255.769 3 ↓
Hi High (pH 8-9.5) 1.37 2.9 -3.24 2 3 0 38 254.761 3 ↓

Analogs

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Popular Name: [(2R)-4-[(2,4,6-trimethylphenyl)methyl]morpholin-2-yl]methanamine [(2R)-4-[(2,4,6-trimethylphenyl)…

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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) 1.58 3.21 -42.63 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 1.58 2.76 -4.21 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 1.58 5.48 -106.35 4 3 2 41 250.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-4-[(2,4,6-trimethylphenyl)methyl]morpholin-2-yl]methanamine [(2S)-4-[(2,4,6-trimethylphenyl)…

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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) 1.58 3.26 -42.41 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 1.58 2.88 -3.42 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 1.58 5.51 -106.01 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: N-[(2S)-2-morpholino-2-(m-tolyl)ethyl]acetamide N-[(2S)-2-morpholino-2-(m-tolyl)…

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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) 1.34 3.61 -8.4 1 4 0 42 262.353 4 ↓
Lo Low (pH 4.5-6) 1.34 5.53 -39.78 2 4 1 43 263.361 4 ↓

Analogs

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Popular Name: N-[(2R)-2-morpholino-2-(m-tolyl)ethyl]acetamide N-[(2R)-2-morpholino-2-(m-tolyl)…

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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) 1.34 3.62 -8.62 1 4 0 42 262.353 4 ↓
Lo Low (pH 4.5-6) 1.34 5.53 -40.39 2 4 1 43 263.361 4 ↓

Analogs

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Popular Name: 1,1-diethyl-3-[(2R)-2-morpholino-2-(m-tolyl)ethyl]urea 1,1-diethyl-3-[(2R)-2-morpholino…

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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) 3.18 6.49 -9.5 1 5 0 45 319.449 6 ↓
Lo Low (pH 4.5-6) 3.18 8.4 -39.91 2 5 1 46 320.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-diethyl-3-[(2S)-2-morpholino-2-(m-tolyl)ethyl]urea 1,1-diethyl-3-[(2S)-2-morpholino…

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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) 3.18 6.48 -9.34 1 5 0 45 319.449 6 ↓
Lo Low (pH 4.5-6) 3.18 8.41 -40.45 2 5 1 46 320.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-morpholino-2-(m-tolyl)ethyl]methanesulfonamide N-[(2S)-2-morpholino-2-(m-tolyl)…

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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) 1.36 0.92 -12.36 1 5 0 59 298.408 5 ↓
Lo Low (pH 4.5-6) 1.36 3.26 -50.85 2 5 1 60 299.416 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 20935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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