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Popular Name: (2S)-1-morpholino-2-phenyl-propan-2-amine (2S)-1-morpholino-2-phenyl-propa…

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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) 1.63 2.41 -42.07 3 3 1 40 221.324 3 ↓
Hi High (pH 8-9.5) 1.63 3.07 -3.21 2 3 0 38 220.316 3 ↓
Lo Low (pH 4.5-6) 1.63 4.87 -34.23 3 3 1 40 221.324 3 ↓

Analogs

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Popular Name: (2R)-1-morpholino-2-phenyl-propan-2-amine (2R)-1-morpholino-2-phenyl-propa…

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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) 1.63 2.6 -41.86 3 3 1 40 221.324 3 ↓
Hi High (pH 8-9.5) 1.63 2.36 -2.62 2 3 0 38 220.316 3 ↓
Lo Low (pH 4.5-6) 1.63 4.2 -34.09 3 3 1 40 221.324 3 ↓

Analogs

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Popular Name: (2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S,6R)-2,6-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) 2.35 4.09 -42.33 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.35 4.48 -3.3 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.35 5.86 -122.38 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: (2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S,6S)-2,6-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) 2.35 4.38 -43.13 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.35 4.76 -2.93 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.35 5.82 -121.01 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2R,6R)-2,6-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) 2.35 4.37 -42.82 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.35 4.76 -3 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.35 5.83 -120.83 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-2-methylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(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) 1.99 3.34 -42 3 3 1 40 235.351 3 ↓
Hi High (pH 8-9.5) 1.99 3.13 -2.62 2 3 0 38 234.343 3 ↓
Lo Low (pH 4.5-6) 1.99 5.13 -121.03 4 3 2 41 236.359 3 ↓

Analogs

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Popular Name: (2R)-1-[(2S)-2-methylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S)-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) 1.99 3.23 -42.26 3 3 1 40 235.351 3 ↓
Hi High (pH 8-9.5) 1.99 3.16 -2.57 2 3 0 38 234.343 3 ↓
Lo Low (pH 4.5-6) 1.99 5.15 -121.73 4 3 2 41 236.359 3 ↓

Analogs

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Popular Name: (2R)-1-[(3R)-3-methylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(3R)-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) 1.96 3.3 -43.21 3 3 1 40 235.351 3 ↓
Hi High (pH 8-9.5) 1.96 3.07 -2.96 2 3 0 38 234.343 3 ↓
Lo Low (pH 4.5-6) 1.96 4.92 -32.24 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: (2R)-1-[(3S)-3-methylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(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) 1.96 3.14 -41.91 3 3 1 40 235.351 3 ↓
Hi High (pH 8-9.5) 1.96 3.66 -3.19 2 3 0 38 234.343 3 ↓
Lo Low (pH 4.5-6) 1.96 4.67 -31.61 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: (2R)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2R,5R)-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) 2.32 3.79 -42.24 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.32 3.68 -2.25 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.32 5.95 -33.18 3 3 1 40 249.378 3 ↓

Analogs

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Popular Name: (2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S,5R)-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) 2.32 3.98 -43.51 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.32 3.74 -2.9 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.32 5.75 -29.33 3 3 1 40 249.378 3 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-2-ethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(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) 2.49 4.18 -41.88 3 3 1 40 249.378 4 ↓
Hi High (pH 8-9.5) 2.49 4.57 -3.16 2 3 0 38 248.37 4 ↓
Lo Low (pH 4.5-6) 2.49 5.95 -121.85 4 3 2 41 250.386 4 ↓

Analogs

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Popular Name: (2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S)-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) 2.49 4.07 -42.22 3 3 1 40 249.378 4 ↓
Hi High (pH 8-9.5) 2.49 4.65 -3.07 2 3 0 38 248.37 4 ↓
Lo Low (pH 4.5-6) 2.49 5.97 -122.9 4 3 2 41 250.386 4 ↓

Analogs

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Popular Name: (2R)-1-(2,2-dimethylmorpholin-4-yl)-2-phenyl-propan-2-amine (2R)-1-(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) 2.44 4.17 -43.24 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.44 4.75 -3.07 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.44 5.75 -121.6 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: (2S)-1-(2,2-dimethylmorpholin-4-yl)-2-phenyl-propan-2-amine (2S)-1-(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) 2.44 4.18 -43.32 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.44 3.97 -2.51 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.44 5.73 -121.6 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: (2R)-1-[(3R)-3-ethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(3R)-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) 2.49 4 -41.41 3 3 1 40 249.378 4 ↓
Hi High (pH 8-9.5) 2.49 3.7 -2.33 2 3 0 38 248.37 4 ↓
Lo Low (pH 4.5-6) 2.49 5.66 -31.8 3 3 1 40 249.378 4 ↓

Analogs

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Popular Name: (2R)-1-[(3S)-3-ethylmorpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(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) 2.49 4.17 -41.2 3 3 1 40 249.378 4 ↓
Hi High (pH 8-9.5) 2.49 3.95 -2.76 2 3 0 38 248.37 4 ↓
Lo Low (pH 4.5-6) 2.49 6 -32.06 3 3 1 40 249.378 4 ↓

Analogs

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Popular Name: (2R)-1-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2R,5R)-5-ethyl-2-methyl…

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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) 2.86 5.02 -42.32 3 3 1 40 263.405 4 ↓
Hi High (pH 8-9.5) 2.86 4.31 -2.44 2 3 0 38 262.397 4 ↓
Lo Low (pH 4.5-6) 2.86 6.56 -121.05 4 3 2 41 264.413 4 ↓

Analogs

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Popular Name: (2R)-1-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2R,5S)-5-ethyl-2-methyl…

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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) 2.86 4.91 -41.62 3 3 1 40 263.405 4 ↓
Hi High (pH 8-9.5) 2.86 5.03 -3.21 2 3 0 38 262.397 4 ↓
Lo Low (pH 4.5-6) 2.86 6.76 -123.03 4 3 2 41 264.413 4 ↓

Analogs

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Popular Name: (2R)-1-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S,5R)-5-ethyl-2-methyl…

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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) 2.86 4.74 -41.84 3 3 1 40 263.405 4 ↓
Hi High (pH 8-9.5) 2.86 4.04 -2.8 2 3 0 38 262.397 4 ↓
Lo Low (pH 4.5-6) 2.86 6.59 -123.47 4 3 2 41 264.413 4 ↓

Analogs

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Popular Name: (2R)-1-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S,5S)-5-ethyl-2-methyl…

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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) 2.86 5.2 -41.6 3 3 1 40 263.405 4 ↓
Hi High (pH 8-9.5) 2.86 5.31 -2.91 2 3 0 38 262.397 4 ↓
Lo Low (pH 4.5-6) 2.86 6.49 -34.89 3 3 1 40 263.405 4 ↓

Analogs

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Popular Name: (2R)-1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-propan-2-amine (2R)-1-(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) 2.44 3.66 -43.18 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.44 3.4 -2.62 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.44 5.43 -114.84 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: (2S)-1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-propan-2-amine (2S)-1-(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) 2.44 3.69 -43.19 3 3 1 40 249.378 3 ↓
Hi High (pH 8-9.5) 2.44 3.41 -2.64 2 3 0 38 248.37 3 ↓
Lo Low (pH 4.5-6) 2.44 5.46 -115.27 4 3 2 41 250.386 3 ↓

Analogs

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Popular Name: (2R)-2-phenyl-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]propan-2-amine (2R)-2-phenyl-1-[(6R)-2,2,6-trim…

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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) 2.80 4.98 -43.36 3 3 1 40 263.405 3 ↓
Hi High (pH 8-9.5) 2.80 5.45 -3.12 2 3 0 38 262.397 3 ↓
Lo Low (pH 4.5-6) 2.80 6.49 -122.45 4 3 2 41 264.413 3 ↓

Analogs

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Popular Name: (2R)-2-phenyl-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-2-amine (2R)-2-phenyl-1-[(6S)-2,2,6-trim…

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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) 2.80 5.02 -43.34 3 3 1 40 263.405 3 ↓
Hi High (pH 8-9.5) 2.80 5.41 -3.22 2 3 0 38 262.397 3 ↓
Lo Low (pH 4.5-6) 2.80 6.43 -121.96 4 3 2 41 264.413 3 ↓

Analogs

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Popular Name: 2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 2.15 3.88 -3.72 2 3 0 38 234.343 3 ↓
Mid Mid (pH 6-8) 2.15 6.16 -38.84 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: 2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 2.15 4.18 -3.49 2 3 0 38 234.343 3 ↓
Mid Mid (pH 6-8) 2.15 6.11 -38.09 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]aniline 2-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 2.15 4.17 -3.48 2 3 0 38 234.343 3 ↓
Mid Mid (pH 6-8) 2.15 6.13 -38.12 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: 2-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]aniline 2-[2-[(2R)-2-methylmorpholin-4-y…

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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) 1.79 3.13 -3.76 2 3 0 38 220.316 3 ↓
Mid Mid (pH 6-8) 1.79 5.41 -38.64 3 3 1 40 221.324 3 ↓

Analogs

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Popular Name: 2-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]aniline 2-[2-[(2S)-2-methylmorpholin-4-y…

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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) 1.79 3.14 -3.73 2 3 0 38 220.316 3 ↓
Mid Mid (pH 6-8) 1.79 5.42 -38.62 3 3 1 40 221.324 3 ↓

Analogs

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Popular Name: 2-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]aniline 2-[2-[(3R)-3-methylmorpholin-4-y…

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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) 1.76 2.99 -3.71 2 3 0 38 220.316 3 ↓
Mid Mid (pH 6-8) 1.76 5.18 -36.3 3 3 1 40 221.324 3 ↓

Analogs

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Popular Name: 2-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]aniline 2-[2-[(3S)-3-methylmorpholin-4-y…

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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) 1.76 3 -3.71 2 3 0 38 220.316 3 ↓
Mid Mid (pH 6-8) 1.76 5.19 -36.29 3 3 1 40 221.324 3 ↓

Analogs

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Popular Name: 2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethyl]aniline 2-[2-[(2R,5R)-2,5-dimethylmorpho…

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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) 2.12 3.58 -3.38 2 3 0 38 234.343 3 ↓
Mid Mid (pH 6-8) 2.12 5.76 -37.25 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: 2-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethyl]aniline 2-[2-[(2S,5R)-2,5-dimethylmorpho…

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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) 2.12 3.74 -3.66 2 3 0 38 234.343 3 ↓
Mid Mid (pH 6-8) 2.12 5.94 -36.43 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: 2-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]aniline 2-[2-[(2R)-2-ethylmorpholin-4-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) 2.29 3.97 -3.52 2 3 0 38 234.343 4 ↓
Mid Mid (pH 6-8) 2.29 6.24 -39.1 3 3 1 40 235.351 4 ↓

Analogs

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Popular Name: 2-[2-[(2S)-2-ethylmorpholin-4-yl]ethyl]aniline 2-[2-[(2S)-2-ethylmorpholin-4-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) 2.29 3.98 -3.54 2 3 0 38 234.343 4 ↓
Mid Mid (pH 6-8) 2.29 6.25 -39.04 3 3 1 40 235.351 4 ↓

Analogs

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Popular Name: 2-[2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]aniline 2-[2-[(2R,5R)-5-ethyl-2-methyl-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) 2.66 4.65 -3.36 2 3 0 38 248.37 4 ↓
Mid Mid (pH 6-8) 2.66 6.51 -36.11 3 3 1 40 249.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]aniline 2-[2-[(2R,5S)-5-ethyl-2-methyl-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) 2.66 4.4 -3.52 2 3 0 38 248.37 4 ↓
Mid Mid (pH 6-8) 2.66 6.57 -36.7 3 3 1 40 249.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]aniline 2-[2-[(2S,5R)-5-ethyl-2-methyl-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) 2.66 4.38 -3.58 2 3 0 38 248.37 4 ↓
Mid Mid (pH 6-8) 2.66 6.55 -36.73 3 3 1 40 249.378 4 ↓

Analogs

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Popular Name: 2-[2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]aniline 2-[2-[(2S,5S)-5-ethyl-2-methyl-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) 2.66 4.68 -3.32 2 3 0 38 248.37 4 ↓
Mid Mid (pH 6-8) 2.66 6.54 -36.1 3 3 1 40 249.378 4 ↓

Analogs

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Popular Name: 2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline 2-[2-(2,2-dimethylmorpholin-4-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) 2.24 4.06 -3.55 2 3 0 38 234.343 3 ↓
Mid Mid (pH 6-8) 2.24 6.02 -38.16 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: 2-[2-[(3R)-3-ethylmorpholin-4-yl]ethyl]aniline 2-[2-[(3R)-3-ethylmorpholin-4-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) 2.29 3.63 -3.57 2 3 0 38 234.343 4 ↓
Mid Mid (pH 6-8) 2.29 5.8 -36.73 3 3 1 40 235.351 4 ↓

Analogs

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Popular Name: 2-[2-[(3S)-3-ethylmorpholin-4-yl]ethyl]aniline 2-[2-[(3S)-3-ethylmorpholin-4-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) 2.29 3.65 -3.55 2 3 0 38 234.343 4 ↓
Mid Mid (pH 6-8) 2.29 5.82 -36.67 3 3 1 40 235.351 4 ↓

Analogs

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Popular Name: 2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]aniline 2-[2-(3,3-dimethylmorpholin-4-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) 2.24 3.37 -3.32 2 3 0 38 234.343 3 ↓
Mid Mid (pH 6-8) 2.24 5.48 -35.25 3 3 1 40 235.351 3 ↓

Analogs

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Popular Name: 2-[2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]aniline 2-[2-[(6R)-2,2,6-trimethylmorpho…

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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) 2.60 4.79 -3.48 2 3 0 38 248.37 3 ↓
Mid Mid (pH 6-8) 2.60 6.75 -38.22 3 3 1 40 249.378 3 ↓

Analogs

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Popular Name: 2-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]aniline 2-[2-[(6S)-2,2,6-trimethylmorpho…

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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) 2.60 4.78 -3.64 2 3 0 38 248.37 3 ↓
Mid Mid (pH 6-8) 2.60 6.75 -38.33 3 3 1 40 249.378 3 ↓

Analogs

43915415
43915415
43915418
43915418
43968525
43968525
43968526
43968526

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Popular Name: (1R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-isobutylphenyl)ethanamine (1R)-2-[(2S,6R)-2,6-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) 1.33 6.54 -44.15 3 3 1 40 291.459 5 ↓
Hi High (pH 8-9.5) 1.33 6.07 -2.73 2 3 0 38 290.451 5 ↓
Lo Low (pH 4.5-6) 1.33 8.14 -37.42 3 3 1 40 291.459 5 ↓

Analogs

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Popular Name: (1S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-isobutylphenyl)ethanamine (1S)-2-[(2S,6R)-2,6-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) 1.33 6.66 -46.49 3 3 1 40 291.459 5 ↓
Hi High (pH 8-9.5) 1.33 6.38 -2.49 2 3 0 38 290.451 5 ↓
Lo Low (pH 4.5-6) 1.33 8.59 -138.99 4 3 2 41 292.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-isobutylphenyl)ethanamine (1R)-2-[(2S,6S)-2,6-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) 1.33 6.86 -47.09 3 3 1 40 291.459 5 ↓
Hi High (pH 8-9.5) 1.33 6.03 -2.8 2 3 0 38 290.451 5 ↓
Lo Low (pH 4.5-6) 1.33 8.5 -136.76 4 3 2 41 292.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-isobutylphenyl)ethanamine (1S)-2-[(2S,6S)-2,6-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) 1.33 6.53 -46.88 3 3 1 40 291.459 5 ↓
Hi High (pH 8-9.5) 1.33 6.24 -2.63 2 3 0 38 290.451 5 ↓
Lo Low (pH 4.5-6) 1.33 8.35 -136.06 4 3 2 41 292.467 5 ↓

Parameters Provided:

ring.id = 30626
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 = 30626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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