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Popular Name: 4-[2-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 4-[2-[(3S)-3-morpholinopyrrolidi…

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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) 1.22 4.62 -39.2 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) 1.22 2.11 -4.04 2 4 0 42 275.396 4 ↓

Analogs

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Popular Name: 4-[2-[(3R)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 4-[2-[(3R)-3-morpholinopyrrolidi…

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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) 1.22 4.67 -39.4 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) 1.22 2.19 -4.09 2 4 0 42 275.396 4 ↓

Analogs

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Popular Name: (1S)-1-(3-aminophenyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanol (1S)-1-(3-aminophenyl)-2-[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 1.52 -39.66 4 5 1 63 292.403 4 ↓

Analogs

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Popular Name: (1R)-1-(3-aminophenyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanol (1R)-1-(3-aminophenyl)-2-[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 1.84 -39.78 4 5 1 63 292.403 4 ↓

Analogs

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Popular Name: (1S)-1-(2-aminophenyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanol (1S)-1-(2-aminophenyl)-2-[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 1.89 -40.42 4 5 1 63 292.403 4 ↓

Analogs

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Popular Name: (1R)-1-(2-aminophenyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanol (1R)-1-(2-aminophenyl)-2-[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 1.72 -40.18 4 5 1 63 292.403 4 ↓

Analogs

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Popular Name: (1S)-1-(4-aminophenyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanol (1S)-1-(4-aminophenyl)-2-[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.23 1.52 -39.27 4 5 1 63 292.403 4 ↓

Analogs

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Popular Name: (1R)-1-(4-aminophenyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanol (1R)-1-(4-aminophenyl)-2-[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.23 1.86 -39.35 4 5 1 63 292.403 4 ↓

Analogs

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Popular Name: 2-[2-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 2-[2-[(3S)-3-morpholinopyrrolidi…

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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 4.7 -40.64 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) 1.58 2.19 -3.84 2 4 0 42 275.396 4 ↓

Analogs

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Popular Name: 2-[2-[(3R)-3-morpholinopyrrolidin-1-yl]ethyl]aniline 2-[2-[(3R)-3-morpholinopyrrolidi…

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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 4.68 -40.91 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) 1.58 2.31 -3.87 2 4 0 42 275.396 4 ↓

Analogs

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Popular Name: (2S)-3-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-propan-1-amine (2S)-3-[(3S)-3-morpholinopyrroli…

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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 2.34 -51.32 3 4 1 43 290.431 5 ↓
Mid Mid (pH 6-8) 1.21 4.54 -97.99 4 4 2 45 291.439 5 ↓
Lo Low (pH 4.5-6) 1.21 4.56 -125.41 4 4 2 45 291.439 5 ↓

Analogs

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Popular Name: (2R)-3-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-propan-1-amine (2R)-3-[(3S)-3-morpholinopyrroli…

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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 2.17 -45.91 3 4 1 43 290.431 5 ↓
Mid Mid (pH 6-8) 1.21 4.38 -93.57 4 4 2 45 291.439 5 ↓
Lo Low (pH 4.5-6) 1.21 6.69 -205.22 5 4 3 46 292.447 5 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-3-phenyl-propan-1-amine (2S)-2-[(3S)-3-morpholinopyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 2.71 -48.05 3 4 1 43 290.431 5 ↓
Mid Mid (pH 6-8) 0.93 3.81 -33.63 3 4 1 43 290.431 5 ↓
Mid Mid (pH 6-8) 0.93 2.64 -3.79 2 4 0 42 289.423 5 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-3-phenyl-propan-1-amine (2R)-2-[(3S)-3-morpholinopyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.93 2.75 -50.09 3 4 1 43 290.431 5 ↓
Mid Mid (pH 6-8) 0.93 4.63 -35.58 3 4 1 43 290.431 5 ↓
Mid Mid (pH 6-8) 0.93 2.58 -3.83 2 4 0 42 289.423 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-ethanamine (1R)-N-methyl-2-[(3S)-3-morpholi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 3.46 -42.58 2 4 1 32 290.431 5 ↓
Hi High (pH 8-9.5) 1.70 2.56 -3.12 1 4 0 28 289.423 5 ↓
Mid Mid (pH 6-8) 1.70 4.95 -38.32 2 4 1 29 290.431 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-ethanamine (1S)-N-methyl-2-[(3S)-3-morpholi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 3.35 -42.35 2 4 1 32 290.431 5 ↓
Hi High (pH 8-9.5) 1.70 3.09 -3.05 1 4 0 28 289.423 5 ↓
Mid Mid (pH 6-8) 1.70 5.75 -119.35 3 4 2 34 291.439 5 ↓

Analogs

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Popular Name: (1S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(o-tolyl)ethanamine (1S)-2-[(3S)-3-morpholinopyrroli…

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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) -0.15 4.77 -37.51 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.15 2.53 -43.2 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.15 2.16 -3.3 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(o-tolyl)ethanamine (1R)-2-[(3S)-3-morpholinopyrroli…

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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) -0.15 4.54 -40.58 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.15 2.68 -43.17 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.15 1.95 -3.56 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(p-tolyl)ethanamine (1S)-2-[(3S)-3-morpholinopyrroli…

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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) -0.10 4.65 -36.01 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.10 2.91 -42.69 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.10 2.16 -3.6 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(p-tolyl)ethanamine (1R)-2-[(3S)-3-morpholinopyrroli…

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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) -0.10 4.39 -37.75 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.10 2.44 -48.25 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.10 2.41 -3.34 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1R,2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-amine (1R,2S)-2-[(3S)-3-morpholinopyrr…

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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 4.18 -34.82 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.22 2.22 -47.39 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.22 1.91 -3.28 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1R,2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-amine (1R,2R)-2-[(3S)-3-morpholinopyrr…

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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 4.75 -35.03 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.22 2.35 -42.57 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.22 1.61 -3.16 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1S,2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-amine (1S,2S)-2-[(3S)-3-morpholinopyrr…

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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 4 -35.37 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.22 2.44 -42.53 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.22 2.02 -3.09 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-amine (1S,2R)-2-[(3S)-3-morpholinopyrr…

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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 4.27 -38.42 3 4 1 43 290.431 4 ↓
Hi High (pH 8-9.5) -0.22 2.13 -47.17 3 4 1 43 290.431 4 ↓
Mid Mid (pH 6-8) -0.22 1.8 -3.88 2 4 0 42 289.423 4 ↓

Analogs

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Popular Name: (1S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-ethanamine (1S)-2-[(3S)-3-morpholinopyrroli…

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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) -0.55 4.3 -36.67 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) -0.55 2.21 -42.67 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) -0.55 1.79 -3.35 2 4 0 42 275.396 4 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-ethanamine (1R)-2-[(3S)-3-morpholinopyrroli…

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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) -0.55 3.72 -37.83 3 4 1 43 276.404 4 ↓
Hi High (pH 8-9.5) -0.55 1.76 -48.33 3 4 1 43 276.404 4 ↓
Mid Mid (pH 6-8) -0.55 1.81 -3.46 2 4 0 42 275.396 4 ↓

Analogs

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Popular Name: (1S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-ethanol (1S)-2-[(3S)-3-morpholinopyrroli…

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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) 1.15 3.66 -39.72 2 4 1 37 277.388 4 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-ethanol (1R)-2-[(3S)-3-morpholinopyrroli…

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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) 1.15 3.99 -39.82 2 4 1 37 277.388 4 ↓

Analogs

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Popular Name: (2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-propan-2-ol (2S)-1-[(3S)-3-morpholinopyrroli…

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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 4.43 -39.93 2 4 1 37 291.415 4 ↓

Analogs

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Popular Name: (2R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-2-phenyl-propan-2-ol (2R)-1-[(3S)-3-morpholinopyrroli…

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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 4.52 -36.92 2 4 1 37 291.415 4 ↓

Analogs

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Popular Name: (1S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(o-tolyl)ethanol (1S)-2-[(3S)-3-morpholinopyrroli…

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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) 1.55 4.4 -40.53 2 4 1 37 291.415 4 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(o-tolyl)ethanol (1R)-2-[(3S)-3-morpholinopyrroli…

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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) 1.55 4.27 -40.13 2 4 1 37 291.415 4 ↓

Analogs

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Popular Name: (1S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(p-tolyl)ethanol (1S)-2-[(3S)-3-morpholinopyrroli…

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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) 1.60 4.33 -39.68 2 4 1 37 291.415 4 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(p-tolyl)ethanol (1R)-2-[(3S)-3-morpholinopyrroli…

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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) 1.60 4.66 -39.81 2 4 1 37 291.415 4 ↓

Analogs

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Popular Name: (1R,2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-ol (1R,2S)-2-[(3S)-3-morpholinopyrr…

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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) 1.48 4.18 -37.59 2 4 1 37 291.415 4 ↓

Analogs

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Popular Name: (1R,2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-ol (1R,2R)-2-[(3S)-3-morpholinopyrr…

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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) 1.48 4.03 -35.92 2 4 1 37 291.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-ol (1S,2S)-2-[(3S)-3-morpholinopyrr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.48 4.02 -36.15 2 4 1 37 291.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-propan-1-ol (1S,2R)-2-[(3S)-3-morpholinopyrr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.48 4.07 -37.47 2 4 1 37 291.415 4 ↓

Parameters Provided:

ring.id = 325409
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 = 325409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=325409&filter.purchasability=annotated

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