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Analogs

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Popular Name: 2-[(4-aminophenyl)methyl-(2-morpholinoethyl)amino]acetamide 2-[(4-aminophenyl)methyl-(2-morp…

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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) -0.57 0.26 -41.35 5 6 1 86 293.391 7 ↓
Lo Low (pH 4.5-6) -0.57 2.54 -115.56 6 6 2 87 294.399 7 ↓

Analogs

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Popular Name: 2-[(3-aminophenyl)methyl-(2-morpholinoethyl)amino]acetamide 2-[(3-aminophenyl)methyl-(2-morp…

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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) -0.60 0.26 -41.82 5 6 1 86 293.391 7 ↓
Lo Low (pH 4.5-6) -0.60 2.54 -116.59 6 6 2 87 294.399 7 ↓

Analogs

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Popular Name: 2-[(2-aminophenyl)methyl-(2-morpholinoethyl)amino]acetamide 2-[(2-aminophenyl)methyl-(2-morp…

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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 0.45 -41.25 5 6 1 86 293.391 7 ↓
Lo Low (pH 4.5-6) -0.22 2.73 -116.76 6 6 2 87 294.399 7 ↓

Analogs

36228858
36228858

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-2-morpholino-ethanamine N-[(2-chloro-5-nitro-phenyl)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) 1.94 4.92 -49.58 2 6 1 75 300.766 6 ↓
Hi High (pH 8-9.5) 1.94 3.54 -6.06 1 6 0 70 299.758 6 ↓
Lo Low (pH 4.5-6) 1.94 5.79 -41.57 2 6 1 72 300.766 6 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-(2-morpholinoethyl)propan-1-amine (1S)-1-(2,4-dichlorophenyl)-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) 2.82 5.2 -3 1 3 0 24 317.26 6 ↓
Mid Mid (pH 6-8) 2.82 5.91 -44.15 2 3 1 29 318.268 6 ↓
Lo Low (pH 4.5-6) 2.82 7.47 -39.36 2 3 1 26 318.268 6 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-(2-morpholinoethyl)propan-1-amine (1R)-1-(2,4-dichlorophenyl)-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) 2.82 4.97 -3.39 1 3 0 24 317.26 6 ↓
Mid Mid (pH 6-8) 2.82 5.97 -43.67 2 3 1 29 318.268 6 ↓
Lo Low (pH 4.5-6) 2.82 7.24 -39.81 2 3 1 26 318.268 6 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-(2-morpholinoethylamino)ethyl]phenol 4-methyl-2-[(1R)-1-(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) 2.30 1.28 -5.28 2 4 0 45 264.369 5 ↓
Mid Mid (pH 6-8) 2.30 2.28 -42.14 3 4 1 49 265.377 5 ↓
Lo Low (pH 4.5-6) 2.30 3.54 -38.51 3 4 1 46 265.377 5 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-(2-morpholinoethylamino)ethyl]phenol 4-methyl-2-[(1S)-1-(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) 2.30 1.2 -4.79 2 4 0 45 264.369 5 ↓
Mid Mid (pH 6-8) 2.30 2.31 -43.44 3 4 1 49 265.377 5 ↓
Lo Low (pH 4.5-6) 2.30 3.45 -38.92 3 4 1 46 265.377 5 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]phenol 4-methyl-2-[(1R)-1-[(2-methyl-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) 3.11 2.47 -4.57 2 4 0 45 292.423 5 ↓
Mid Mid (pH 6-8) 3.11 3.71 -38.3 3 4 1 49 293.431 5 ↓
Lo Low (pH 4.5-6) 3.11 4.76 -32.94 3 4 1 46 293.431 5 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]phenol 4-methyl-2-[(1S)-1-[(2-methyl-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) 3.11 2.38 -4.24 2 4 0 45 292.423 5 ↓
Mid Mid (pH 6-8) 3.11 3.84 -39.68 3 4 1 49 293.431 5 ↓
Lo Low (pH 4.5-6) 3.11 4.67 -34.11 3 4 1 46 293.431 5 ↓

Analogs

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Popular Name: 4-[[(2-methyl-2-morpholino-propyl)amino]methyl]benzene-1,2-diol 4-[[(2-methyl-2-morpholino-propy…

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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) 1.21 -1.3 -8.63 3 5 0 65 280.368 5 ↓
Hi High (pH 8-9.5) 1.21 1.34 -72.97 3 5 0 72 280.368 5 ↓
Hi High (pH 8-9.5) 1.21 1.49 -54.89 3 5 0 72 280.368 5 ↓

Analogs

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Popular Name: 3-[[(2-methyl-2-morpholino-propyl)amino]methyl]benzonitrile 3-[[(2-methyl-2-morpholino-propy…

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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) 1.91 3.93 -5.89 1 4 0 48 273.38 5 ↓
Mid Mid (pH 6-8) 1.91 5.76 -51.87 2 4 1 53 274.388 5 ↓
Lo Low (pH 4.5-6) 1.91 6.35 -37.54 2 4 1 49 274.388 5 ↓

Analogs

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Popular Name: 2-[[(2-methyl-2-morpholino-propyl)amino]methyl]phenol 2-[[(2-methyl-2-morpholino-propy…

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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 0.73 -6.12 2 4 0 45 264.369 5 ↓
Hi High (pH 8-9.5) 2.12 3.4 -33.46 2 4 0 52 264.369 5 ↓
Mid Mid (pH 6-8) 2.12 2.61 -38.43 3 4 1 49 265.377 5 ↓

Analogs

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Popular Name: 4-[[(2-methyl-2-morpholino-propyl)amino]methyl]benzene-1,3-diol 4-[[(2-methyl-2-morpholino-propy…

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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 -2.17 -10.01 3 5 0 65 280.368 5 ↓
Hi High (pH 8-9.5) 1.62 0.51 -34.96 3 5 0 72 280.368 5 ↓
Mid Mid (pH 6-8) 1.62 -0.28 -42.7 4 5 1 70 281.376 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(4-bromophenyl)ethyl]-…

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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) 3.55 5.09 -3.32 1 3 0 24 341.293 5 ↓
Mid Mid (pH 6-8) 3.55 6.76 -43.9 2 3 1 29 342.301 5 ↓
Lo Low (pH 4.5-6) 3.55 7.55 -34.12 2 3 1 26 342.301 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(4-bromophenyl)ethyl]-…

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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) 3.55 5.62 -2.04 1 3 0 24 341.293 5 ↓
Mid Mid (pH 6-8) 3.55 6.77 -43.82 2 3 1 29 342.301 5 ↓
Lo Low (pH 4.5-6) 3.55 7.46 -34.24 2 3 1 26 342.301 5 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1R)-1-phenylethyl]propan-1-amine 2-methyl-2-morpholino-N-[(1R)-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) 2.74 4.45 -3.15 1 3 0 24 262.397 5 ↓
Mid Mid (pH 6-8) 2.74 6.13 -39.15 2 3 1 29 263.405 5 ↓
Lo Low (pH 4.5-6) 2.74 6.92 -31.62 2 3 1 26 263.405 5 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1S)-1-phenylethyl]propan-1-amine 2-methyl-2-morpholino-N-[(1S)-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) 2.74 4.99 -1.99 1 3 0 24 262.397 5 ↓
Mid Mid (pH 6-8) 2.74 6.14 -39.09 2 3 1 29 263.405 5 ↓
Lo Low (pH 4.5-6) 2.74 6.84 -31.85 2 3 1 26 263.405 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(3-bromophenyl)ethyl]-…

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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) 3.53 5.61 -2.86 1 3 0 24 341.293 5 ↓
Mid Mid (pH 6-8) 3.53 6.76 -41.03 2 3 1 29 342.301 5 ↓
Lo Low (pH 4.5-6) 3.53 7.45 -34.69 2 3 1 26 342.301 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(3-bromophenyl)ethyl]-…

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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) 3.53 5.5 -2.04 1 3 0 24 341.293 5 ↓
Mid Mid (pH 6-8) 3.53 6.65 -42.92 2 3 1 29 342.301 5 ↓
Lo Low (pH 4.5-6) 3.53 7.48 -34.35 2 3 1 26 342.301 5 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1R)-1-(p-tolyl)ethyl]propan-1-amine 2-methyl-2-morpholino-N-[(1R)-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) 3.19 5.13 -3.17 1 3 0 24 276.424 5 ↓
Mid Mid (pH 6-8) 3.19 6.8 -39.08 2 3 1 29 277.432 5 ↓
Lo Low (pH 4.5-6) 3.19 7.59 -31.59 2 3 1 26 277.432 5 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1S)-1-(p-tolyl)ethyl]propan-1-amine 2-methyl-2-morpholino-N-[(1S)-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) 3.19 5.65 -1.99 1 3 0 24 276.424 5 ↓
Mid Mid (pH 6-8) 3.19 6.81 -39.11 2 3 1 29 277.432 5 ↓
Lo Low (pH 4.5-6) 3.19 7.51 -31.83 2 3 1 26 277.432 5 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1R)-1-phenylpropyl]propan-1-amine 2-methyl-2-morpholino-N-[(1R)-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) 2.34 5.04 -2.93 1 3 0 24 276.424 6 ↓
Mid Mid (pH 6-8) 2.34 6.74 -39.66 2 3 1 29 277.432 6 ↓
Lo Low (pH 4.5-6) 2.34 7.47 -31.81 2 3 1 26 277.432 6 ↓

Analogs

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Popular Name: 2-methyl-2-morpholino-N-[(1S)-1-phenylpropyl]propan-1-amine 2-methyl-2-morpholino-N-[(1S)-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) 2.34 4.36 -2.3 1 3 0 24 276.424 6 ↓
Mid Mid (pH 6-8) 2.34 5.61 -40.44 2 3 1 29 277.432 6 ↓
Lo Low (pH 4.5-6) 2.34 6.57 -35.08 2 3 1 26 277.432 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]phenol 4-[(1R)-1-[(2-methyl-2-morpholin…

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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) 2.26 2.13 -6.32 2 4 0 45 278.396 5 ↓
Hi High (pH 8-9.5) 2.26 4.05 -62.19 2 4 0 52 278.396 5 ↓
Mid Mid (pH 6-8) 2.26 3.26 -42.33 3 4 1 49 279.404 5 ↓

Analogs

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Popular Name: 4-[(1S)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]phenol 4-[(1S)-1-[(2-methyl-2-morpholin…

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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) 2.26 1.57 -6.11 2 4 0 45 278.396 5 ↓
Hi High (pH 8-9.5) 2.26 4.06 -62.45 2 4 0 52 278.396 5 ↓
Mid Mid (pH 6-8) 2.26 3.27 -42.42 3 4 1 49 279.404 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(4-chlorophenyl)ethyl]…

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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) 3.42 4.98 -3.44 1 3 0 24 296.842 5 ↓
Mid Mid (pH 6-8) 3.42 6.65 -43.65 2 3 1 29 297.85 5 ↓
Lo Low (pH 4.5-6) 3.42 7.44 -34.05 2 3 1 26 297.85 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(4-chlorophenyl)ethyl]…

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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) 3.42 5.51 -2.14 1 3 0 24 296.842 5 ↓
Mid Mid (pH 6-8) 3.42 6.66 -43.61 2 3 1 29 297.85 5 ↓
Lo Low (pH 4.5-6) 3.42 7.36 -34.14 2 3 1 26 297.85 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(2-chlorophenyl)ethyl]…

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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) 3.37 5.58 -2.72 1 3 0 24 296.842 5 ↓
Mid Mid (pH 6-8) 3.37 6.62 -38.81 2 3 1 29 297.85 5 ↓
Lo Low (pH 4.5-6) 3.37 7.42 -36.36 2 3 1 26 297.85 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(2-chlorophenyl)ethyl]…

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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) 3.37 4.87 -2.94 1 3 0 24 296.842 5 ↓
Mid Mid (pH 6-8) 3.37 6.58 -39.01 2 3 1 29 297.85 5 ↓
Lo Low (pH 4.5-6) 3.37 7.29 -33.89 2 3 1 26 297.85 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(2-methoxyphenyl)ethyl…

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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) 2.75 4.55 -3.78 1 4 0 34 292.423 6 ↓
Mid Mid (pH 6-8) 2.75 5.59 -37.41 2 4 1 38 293.431 6 ↓
Lo Low (pH 4.5-6) 2.75 6.39 -35.81 2 4 1 35 293.431 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(2-methoxyphenyl)ethyl…

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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) 2.75 3.9 -3.99 1 4 0 34 292.423 6 ↓
Mid Mid (pH 6-8) 2.75 5.61 -37.7 2 4 1 38 293.431 6 ↓
Lo Low (pH 4.5-6) 2.75 6.37 -33.25 2 4 1 35 293.431 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]benzonitrile 4-[(1R)-1-[(2-methyl-2-morpholin…

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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) 2.50 6.52 -50.71 2 4 1 53 288.415 5 ↓
Hi High (pH 8-9.5) 2.50 5.39 -5.64 1 4 0 48 287.407 5 ↓
Lo Low (pH 4.5-6) 2.50 7.22 -42.27 2 4 1 49 288.415 5 ↓

Analogs

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Popular Name: 4-[(1S)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]benzonitrile 4-[(1S)-1-[(2-methyl-2-morpholin…

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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) 2.50 6.53 -50.78 2 4 1 53 288.415 5 ↓
Hi High (pH 8-9.5) 2.50 4.83 -5.55 1 4 0 48 287.407 5 ↓
Lo Low (pH 4.5-6) 2.50 7.3 -39.28 2 4 1 49 288.415 5 ↓

Analogs

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Popular Name: 2-[(1R)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]phenol 2-[(1R)-1-[(2-methyl-2-morpholin…

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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) 2.68 2.35 -5.93 2 4 0 45 278.396 5 ↓
Hi High (pH 8-9.5) 2.68 4.18 -41.71 2 4 0 52 278.396 5 ↓
Mid Mid (pH 6-8) 2.68 3.39 -38.2 3 4 1 49 279.404 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]phenol 2-[(1S)-1-[(2-methyl-2-morpholin…

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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) 2.68 1.7 -6.12 2 4 0 45 278.396 5 ↓
Hi High (pH 8-9.5) 2.68 4.19 -42.09 2 4 0 52 278.396 5 ↓
Mid Mid (pH 6-8) 2.68 3.4 -38.4 3 4 1 49 279.404 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,6-difluorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(2,6-difluorophenyl)et…

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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) 2.97 6.27 -32.89 2 3 1 29 299.385 5 ↓
Hi High (pH 8-9.5) 2.97 5.13 -3.72 1 3 0 24 298.377 5 ↓
Lo Low (pH 4.5-6) 2.97 6.96 -31.37 2 3 1 26 299.385 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(2,6-difluorophenyl)et…

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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) 2.97 6.26 -33 2 3 1 29 299.385 5 ↓
Hi High (pH 8-9.5) 2.97 4.74 -3.96 1 3 0 24 298.377 5 ↓
Lo Low (pH 4.5-6) 2.97 7.21 -29.44 2 3 1 26 299.385 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(2-fluorophenyl)ethyl]…

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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 5.21 -3.43 1 3 0 24 280.387 5 ↓
Mid Mid (pH 6-8) 2.86 6.25 -39.68 2 3 1 29 281.395 5 ↓
Lo Low (pH 4.5-6) 2.86 7.05 -37.48 2 3 1 26 281.395 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-fluorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(2-fluorophenyl)ethyl]…

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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 4.53 -3.71 1 3 0 24 280.387 5 ↓
Mid Mid (pH 6-8) 2.86 6.24 -39.86 2 3 1 29 281.395 5 ↓
Lo Low (pH 4.5-6) 2.86 6.95 -34.97 2 3 1 26 281.395 5 ↓

Analogs

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Popular Name: 2-methoxy-6-[[(2-methyl-2-morpholino-propyl)amino]methyl]phenol 2-methoxy-6-[[(2-methyl-2-morpho…

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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) 1.73 1.43 -6.01 2 5 0 54 294.395 6 ↓
Hi High (pH 8-9.5) 1.73 3.53 -34.12 2 5 0 61 294.395 6 ↓
Mid Mid (pH 6-8) 1.73 2.74 -38.29 3 5 1 59 295.403 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(4-fluorophenyl)ethyl]…

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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) 2.91 4.53 -4.09 1 3 0 24 280.387 5 ↓
Mid Mid (pH 6-8) 2.91 6.2 -44.73 2 3 1 29 281.395 5 ↓
Lo Low (pH 4.5-6) 2.91 6.99 -35.09 2 3 1 26 281.395 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(4-fluorophenyl)ethyl]…

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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) 2.91 5.06 -2.74 1 3 0 24 280.387 5 ↓
Mid Mid (pH 6-8) 2.91 6.21 -44.62 2 3 1 29 281.395 5 ↓
Lo Low (pH 4.5-6) 2.91 6.91 -35.15 2 3 1 26 281.395 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(2-bromophenyl)ethyl]-…

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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) 3.50 5.65 -2.69 1 3 0 24 341.293 5 ↓
Mid Mid (pH 6-8) 3.50 6.69 -38.67 2 3 1 29 342.301 5 ↓
Lo Low (pH 4.5-6) 3.50 7.49 -36.32 2 3 1 26 342.301 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(2-bromophenyl)ethyl]-…

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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) 3.50 4.94 -2.9 1 3 0 24 341.293 5 ↓
Mid Mid (pH 6-8) 3.50 6.63 -38.86 2 3 1 29 342.301 5 ↓
Lo Low (pH 4.5-6) 3.50 7.36 -33.88 2 3 1 26 342.301 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]benzene-1,3-diol 4-[(1R)-1-[(2-methyl-2-morpholin…

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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 -1.07 -10.41 3 5 0 65 294.395 5 ↓
Hi High (pH 8-9.5) 2.18 1.29 -43.72 3 5 0 72 294.395 5 ↓
Mid Mid (pH 6-8) 2.18 0.51 -41.98 4 5 1 70 295.403 5 ↓

Analogs

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Popular Name: 4-[(1S)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]benzene-1,3-diol 4-[(1S)-1-[(2-methyl-2-morpholin…

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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 -0.62 -9.59 3 5 0 65 294.395 5 ↓
Hi High (pH 8-9.5) 2.18 1.31 -43.67 3 5 0 72 294.395 5 ↓
Mid Mid (pH 6-8) 2.18 0.52 -41.92 4 5 1 70 295.403 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(4-methoxyphenyl)ethyl…

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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 3.78 -4.72 1 4 0 34 292.423 6 ↓
Mid Mid (pH 6-8) 2.80 5.45 -42.48 2 4 1 38 293.431 6 ↓
Lo Low (pH 4.5-6) 2.80 6.24 -34.39 2 4 1 35 293.431 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1S)-1-(4-methoxyphenyl)ethyl…

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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 4.31 -3.41 1 4 0 34 292.423 6 ↓
Mid Mid (pH 6-8) 2.80 5.46 -42.44 2 4 1 38 293.431 6 ↓
Lo Low (pH 4.5-6) 2.80 6.16 -34.43 2 4 1 35 293.431 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-2-morpholino-propan-1-amine N-[(1R)-1-(3-methoxyphenyl)ethyl…

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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) 2.77 4.3 -4.26 1 4 0 34 292.423 6 ↓
Mid Mid (pH 6-8) 2.77 5.44 -40.7 2 4 1 38 293.431 6 ↓
Lo Low (pH 4.5-6) 2.77 6.15 -37.35 2 4 1 35 293.431 6 ↓

Parameters Provided:

ring.id = 15617
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 = 15617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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