UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-1,1,1-trifluoro-3-[(3R)-3-morpholinopyrrolidin-1-yl]propan-2-ol (2S)-1,1,1-trifluoro-3-[(3R)-3-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) 0.62 1.21 -42.18 2 4 1 37 269.287 4 ↓
Mid Mid (pH 6-8) 0.62 1.68 -26.86 1 4 0 40 268.279 4 ↓

Analogs

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Popular Name: (2S)-1,1,1-trifluoro-3-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-ol (2S)-1,1,1-trifluoro-3-[(3S)-3-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) 0.62 1.2 -42.4 2 4 1 37 269.287 4 ↓
Mid Mid (pH 6-8) 0.62 1.67 -26.06 1 4 0 40 268.279 4 ↓

Analogs

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

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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) -0.32 -0.22 -39.49 2 5 1 46 245.343 5 ↓

Analogs

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

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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) -0.32 0.05 -39.43 2 5 1 46 245.343 5 ↓

Analogs

44721389
44721389
44721392
44721392
44721844
44721844
44721847
44721847
45650814
45650814

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Popular Name: 3-[(3R)-3-morpholinopyrrolidin-1-yl]propan-1-amine 3-[(3R)-3-morpholinopyrrolidin-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) -0.59 -1.38 -43.46 3 4 1 43 214.333 4 ↓
Mid Mid (pH 6-8) -0.59 1.08 -107.42 4 4 2 45 215.341 4 ↓
Mid Mid (pH 6-8) -0.59 0.83 -87.28 4 4 2 45 215.341 4 ↓

Analogs

44721389
44721389
44721392
44721392
44721443
44721443
44721446
44721446
44721844
44721844

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Popular Name: 3-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine 3-[(3S)-3-morpholinopyrrolidin-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) -0.59 -1.29 -43.36 3 4 1 43 214.333 4 ↓
Mid Mid (pH 6-8) -0.59 1.07 -107.87 4 4 2 45 215.341 4 ↓
Mid Mid (pH 6-8) -0.59 0.92 -87.63 4 4 2 45 215.341 4 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]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) -0.53 -1.64 -44 3 4 1 43 214.333 3 ↓
Mid Mid (pH 6-8) -0.53 0.85 -115.19 4 4 2 45 215.341 3 ↓
Mid Mid (pH 6-8) -0.53 0.48 -33.72 3 4 1 43 214.333 3 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]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) -0.53 -1.19 -41.21 3 4 1 43 214.333 3 ↓
Mid Mid (pH 6-8) -0.53 0.84 -115.69 4 4 2 45 215.341 3 ↓
Mid Mid (pH 6-8) -0.53 1.17 -30.92 3 4 1 43 214.333 3 ↓

Analogs

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Popular Name: N-isobutyl-4-[(3S)-3-morpholinopyrrolidin-1-yl]butan-1-amine N-isobutyl-4-[(3S)-3-morpholinop…

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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) 1.44 6.04 -98.44 3 4 2 34 285.476 8 ↓
Mid Mid (pH 6-8) 1.44 3.52 -38.65 2 4 1 32 284.468 8 ↓

Analogs

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Popular Name: N-isobutyl-4-[(3R)-3-morpholinopyrrolidin-1-yl]butan-1-amine N-isobutyl-4-[(3R)-3-morpholinop…

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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) 1.44 6.09 -98.69 3 4 2 34 285.476 8 ↓
Mid Mid (pH 6-8) 1.44 3.61 -38.68 2 4 1 32 284.468 8 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine (2S)-2-methyl-3-[(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) -0.11 -0.38 -43.85 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) -0.11 1.81 -106.35 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) -0.11 1.83 -86.98 4 4 2 45 229.368 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine (2R)-2-methyl-3-[(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) -0.11 -0.29 -41.43 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) -0.11 1.8 -110.92 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) -0.11 1.91 -90.31 4 4 2 45 229.368 4 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]butan-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) 0.01 1.63 -123.76 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) 0.01 -0.58 -41.18 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) 0.01 1.33 -31.75 3 4 1 43 228.36 4 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]butan-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) 0.01 1.57 -124.49 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) 0.01 1.69 -31.27 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) 0.01 -0.79 -41.24 3 4 1 43 228.36 4 ↓

Analogs

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Popular Name: 2-methyl-N-[3-[(3S)-3-morpholinopyrrolidin-1-yl]propyl]propan-1-amine 2-methyl-N-[3-[(3S)-3-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) 1.17 2.74 -38.82 2 4 1 32 270.441 7 ↓
Mid Mid (pH 6-8) 1.17 5.25 -107.31 3 4 2 34 271.449 7 ↓
Mid Mid (pH 6-8) 1.17 4.94 -85.61 3 4 2 34 271.449 7 ↓

Analogs

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Popular Name: 2-methyl-N-[3-[(3R)-3-morpholinopyrrolidin-1-yl]propyl]propan-1-amine 2-methyl-N-[3-[(3R)-3-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) 1.17 2.83 -38.85 2 4 1 32 270.441 7 ↓
Mid Mid (pH 6-8) 1.17 5.31 -107.61 3 4 2 34 271.449 7 ↓
Mid Mid (pH 6-8) 1.17 5.03 -85.36 3 4 2 34 271.449 7 ↓

Analogs

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Popular Name: N-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine N-methyl-3-[(3S)-3-morpholinopyr…

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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) 0.39 0.52 -38.73 2 4 1 32 228.36 5 ↓
Mid Mid (pH 6-8) 0.39 2.98 -103.75 3 4 2 34 229.368 5 ↓
Mid Mid (pH 6-8) 0.39 2.73 -83.14 3 4 2 34 229.368 5 ↓

Analogs

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Popular Name: N-methyl-3-[(3R)-3-morpholinopyrrolidin-1-yl]propan-1-amine N-methyl-3-[(3R)-3-morpholinopyr…

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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) 0.39 0.58 -38.77 2 4 1 32 228.36 5 ↓
Mid Mid (pH 6-8) 0.39 2.94 -104.25 3 4 2 34 229.368 5 ↓
Mid Mid (pH 6-8) 0.39 2.79 -83.45 3 4 2 34 229.368 5 ↓

Analogs

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Popular Name: N-ethyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine N-ethyl-3-[(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) 0.42 1.37 -38.01 2 4 1 32 242.387 6 ↓
Mid Mid (pH 6-8) 0.42 3.83 -104.5 3 4 2 34 243.395 6 ↓
Mid Mid (pH 6-8) 0.42 3.58 -82.95 3 4 2 34 243.395 6 ↓

Analogs

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Popular Name: N-ethyl-3-[(3R)-3-morpholinopyrrolidin-1-yl]propan-1-amine N-ethyl-3-[(3R)-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) 0.42 1.43 -38 2 4 1 32 242.387 6 ↓
Mid Mid (pH 6-8) 0.42 3.64 -83.35 3 4 2 34 243.395 6 ↓
Mid Mid (pH 6-8) 0.42 3.79 -104.87 3 4 2 34 243.395 6 ↓

Analogs

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Popular Name: 3-[(3S)-3-morpholinopyrrolidin-1-yl]-N-propyl-propan-1-amine 3-[(3S)-3-morpholinopyrrolidin-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) 0.92 2.06 -38.76 2 4 1 32 256.414 7 ↓
Mid Mid (pH 6-8) 0.92 4.26 -85.14 3 4 2 34 257.422 7 ↓
Mid Mid (pH 6-8) 0.92 4.57 -106.24 3 4 2 34 257.422 7 ↓

Analogs

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Popular Name: 3-[(3R)-3-morpholinopyrrolidin-1-yl]-N-propyl-propan-1-amine 3-[(3R)-3-morpholinopyrrolidin-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) 0.92 2.14 -38.79 2 4 1 32 256.414 7 ↓
Mid Mid (pH 6-8) 0.92 4.62 -106.6 3 4 2 34 257.422 7 ↓
Mid Mid (pH 6-8) 0.92 4.35 -84.78 3 4 2 34 257.422 7 ↓

Analogs

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Popular Name: N-isopropyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine N-isopropyl-3-[(3S)-3-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) 1.07 1.83 -36.78 2 4 1 32 256.414 6 ↓
Mid Mid (pH 6-8) 1.07 4.35 -104.16 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 1.07 4.04 -83.14 3 4 2 34 257.422 6 ↓

Analogs

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Popular Name: N-isopropyl-3-[(3R)-3-morpholinopyrrolidin-1-yl]propan-1-amine N-isopropyl-3-[(3R)-3-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) 1.07 1.95 -36.91 2 4 1 32 256.414 6 ↓
Mid Mid (pH 6-8) 1.07 4.31 -104.76 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 1.07 4.16 -82.69 3 4 2 34 257.422 6 ↓

Analogs

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Popular Name: 2-methyl-N-[3-[(3S)-3-morpholinopyrrolidin-1-yl]propyl]propan-2-amine 2-methyl-N-[3-[(3S)-3-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) 1.58 2.33 -35.8 2 4 1 32 270.441 6 ↓
Mid Mid (pH 6-8) 1.58 4.79 -103.88 3 4 2 34 271.449 6 ↓
Mid Mid (pH 6-8) 1.58 4.54 -81.53 3 4 2 34 271.449 6 ↓

Analogs

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Popular Name: 2-methyl-N-[3-[(3R)-3-morpholinopyrrolidin-1-yl]propyl]propan-2-amine 2-methyl-N-[3-[(3R)-3-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) 1.58 2.34 -35.58 2 4 1 32 270.441 6 ↓
Mid Mid (pH 6-8) 1.58 4.8 -104.11 3 4 2 34 271.449 6 ↓
Mid Mid (pH 6-8) 1.58 4.56 -82.01 3 4 2 34 271.449 6 ↓

Analogs

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

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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) 0.12 -0.25 -38.94 2 4 1 32 214.333 4 ↓
Mid Mid (pH 6-8) 0.12 2.22 -113.32 3 4 2 34 215.341 4 ↓
Mid Mid (pH 6-8) 0.12 1.97 -86.55 3 4 2 34 215.341 4 ↓

Analogs

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

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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) 0.12 -0.19 -38.93 2 4 1 32 214.333 4 ↓
Mid Mid (pH 6-8) 0.12 2.17 -113.6 3 4 2 34 215.341 4 ↓
Mid Mid (pH 6-8) 0.12 2.02 -87.22 3 4 2 34 215.341 4 ↓

Analogs

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Popular Name: N-ethyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine N-ethyl-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) 0.15 0.53 -37.8 2 4 1 32 228.36 5 ↓
Mid Mid (pH 6-8) 0.15 2.74 -87.67 3 4 2 34 229.368 5 ↓
Mid Mid (pH 6-8) 0.15 3.05 -114.08 3 4 2 34 229.368 5 ↓

Analogs

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Popular Name: N-ethyl-2-[(3R)-3-morpholinopyrrolidin-1-yl]ethanamine N-ethyl-2-[(3R)-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) 0.15 0.66 -38.01 2 4 1 32 228.36 5 ↓
Mid Mid (pH 6-8) 0.15 3.02 -114.71 3 4 2 34 229.368 5 ↓
Mid Mid (pH 6-8) 0.15 2.87 -86.95 3 4 2 34 229.368 5 ↓

Analogs

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Popular Name: N-[2-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]propan-1-amine N-[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) 0.65 1.28 -38.72 2 4 1 32 242.387 6 ↓
Mid Mid (pH 6-8) 0.65 3.8 -116.28 3 4 2 34 243.395 6 ↓
Mid Mid (pH 6-8) 0.65 3.49 -89.19 3 4 2 34 243.395 6 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-morpholinopyrrolidin-1-yl]ethyl]propan-1-amine N-[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) 0.65 1.42 -39.02 2 4 1 32 242.387 6 ↓
Mid Mid (pH 6-8) 0.65 3.77 -117.03 3 4 2 34 243.395 6 ↓
Mid Mid (pH 6-8) 0.65 3.62 -88.55 3 4 2 34 243.395 6 ↓

Analogs

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Popular Name: N-[2-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]propan-2-amine N-[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) 0.80 1.06 -36.71 2 4 1 32 242.387 5 ↓
Mid Mid (pH 6-8) 0.80 3.57 -113.78 3 4 2 34 243.395 5 ↓
Mid Mid (pH 6-8) 0.80 3.28 -87.18 3 4 2 34 243.395 5 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-morpholinopyrrolidin-1-yl]ethyl]propan-2-amine N-[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) 0.80 1.19 -36.98 2 4 1 32 242.387 5 ↓
Mid Mid (pH 6-8) 0.80 3.54 -114.48 3 4 2 34 243.395 5 ↓
Mid Mid (pH 6-8) 0.80 3.4 -86.51 3 4 2 34 243.395 5 ↓

Analogs

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Popular Name: 2-methyl-N-[2-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]propan-2-amine 2-methyl-N-[2-[(3S)-3-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) 1.31 1.5 -35.56 2 4 1 32 256.414 5 ↓
Mid Mid (pH 6-8) 1.31 4 -113.22 3 4 2 34 257.422 5 ↓
Mid Mid (pH 6-8) 1.31 3.7 -86.47 3 4 2 34 257.422 5 ↓

Analogs

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Popular Name: 2-methyl-N-[2-[(3R)-3-morpholinopyrrolidin-1-yl]ethyl]propan-2-amine 2-methyl-N-[2-[(3R)-3-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) 1.31 1.59 -35.79 2 4 1 32 256.414 5 ↓
Mid Mid (pH 6-8) 1.31 3.97 -113.89 3 4 2 34 257.422 5 ↓
Mid Mid (pH 6-8) 1.31 3.82 -85.81 3 4 2 34 257.422 5 ↓

Analogs

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Popular Name: 2-methyl-N-[2-[(3S)-3-morpholinopyrrolidin-1-yl]ethyl]propan-1-amine 2-methyl-N-[2-[(3S)-3-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) 0.89 2.04 -38.97 2 4 1 32 256.414 6 ↓
Mid Mid (pH 6-8) 0.89 4.5 -118.01 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 0.89 4.25 -88.47 3 4 2 34 257.422 6 ↓

Analogs

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Popular Name: 2-methyl-N-[2-[(3R)-3-morpholinopyrrolidin-1-yl]ethyl]propan-1-amine 2-methyl-N-[2-[(3R)-3-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) 0.89 2.1 -38.96 2 4 1 32 256.414 6 ↓
Mid Mid (pH 6-8) 0.89 4.46 -118.33 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 0.89 4.31 -89.13 3 4 2 34 257.422 6 ↓

Analogs

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Popular Name: (3S)-N-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]butan-1-amine (3S)-N-methyl-3-[(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) 0.72 1.21 -37.85 2 4 1 32 242.387 5 ↓
Mid Mid (pH 6-8) 0.72 3.34 -102.93 3 4 2 34 243.395 5 ↓
Mid Mid (pH 6-8) 0.72 3.41 -85.74 3 4 2 34 243.395 5 ↓

Analogs

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Popular Name: (3R)-N-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]butan-1-amine (3R)-N-methyl-3-[(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) 0.72 1.13 -37.8 2 4 1 32 242.387 5 ↓
Mid Mid (pH 6-8) 0.72 3.33 -102.96 3 4 2 34 243.395 5 ↓
Mid Mid (pH 6-8) 0.72 3.34 -83.99 3 4 2 34 243.395 5 ↓

Analogs

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Popular Name: (3S)-3-[(3S)-3-morpholinopyrrolidin-1-yl]butan-1-amine (3S)-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) -0.26 -0.67 -42.49 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) -0.26 1.46 -106.84 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) -0.26 1.53 -90.01 4 4 2 45 229.368 4 ↓

Analogs

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Popular Name: (3R)-3-[(3S)-3-morpholinopyrrolidin-1-yl]butan-1-amine (3R)-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) -0.26 -0.75 -42.37 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) -0.26 1.46 -106.89 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) -0.26 1.45 -88.15 4 4 2 45 229.368 4 ↓

Analogs

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Popular Name: 4-[(3R)-3-morpholinopyrrolidin-1-yl]butan-1-amine 4-[(3R)-3-morpholinopyrrolidin-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) -0.32 1.87 -99.34 4 4 2 45 229.368 5 ↓
Mid Mid (pH 6-8) -0.32 -0.6 -43.12 3 4 1 43 228.36 5 ↓

Analogs

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Popular Name: 4-[(3S)-3-morpholinopyrrolidin-1-yl]butan-1-amine 4-[(3S)-3-morpholinopyrrolidin-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) -0.32 1.86 -99.75 4 4 2 45 229.368 5 ↓
Mid Mid (pH 6-8) -0.32 -0.51 -43.08 3 4 1 43 228.36 5 ↓

Analogs

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Popular Name: (2S)-N-methyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine (2S)-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) 0.45 0.24 -38.96 2 4 1 32 228.36 4 ↓
Mid Mid (pH 6-8) 0.45 2.72 -110.26 3 4 2 34 229.368 4 ↓
Mid Mid (pH 6-8) 0.45 2.44 -87.84 3 4 2 34 229.368 4 ↓

Analogs

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Popular Name: (2R)-N-methyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine (2R)-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) 0.45 0.32 -39.16 2 4 1 32 228.36 4 ↓
Mid Mid (pH 6-8) 0.45 2.74 -110.65 3 4 2 34 229.368 4 ↓
Mid Mid (pH 6-8) 0.45 2.52 -85.9 3 4 2 34 229.368 4 ↓

Analogs

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Popular Name: (2R)-N-ethyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine (2R)-N-ethyl-2-[(3S)-3-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) 0.48 1.17 -38 2 4 1 32 242.387 5 ↓
Mid Mid (pH 6-8) 0.48 3.58 -111.55 3 4 2 34 243.395 5 ↓
Mid Mid (pH 6-8) 0.48 3.38 -85.54 3 4 2 34 243.395 5 ↓

Analogs

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Popular Name: (2S)-N-ethyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]propan-1-amine (2S)-N-ethyl-2-[(3S)-3-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) 0.48 1.1 -37.78 2 4 1 32 242.387 5 ↓
Mid Mid (pH 6-8) 0.48 3.58 -111.11 3 4 2 34 243.395 5 ↓
Mid Mid (pH 6-8) 0.48 3.3 -87.31 3 4 2 34 243.395 5 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-N-propyl-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) 0.98 1.93 -38.94 2 4 1 32 256.414 6 ↓
Mid Mid (pH 6-8) 0.98 4.34 -113.74 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 0.98 4.14 -87.03 3 4 2 34 257.422 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-N-propyl-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) 0.98 1.85 -38.67 2 4 1 32 256.414 6 ↓
Mid Mid (pH 6-8) 0.98 4.33 -113.31 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 0.98 4.06 -88.75 3 4 2 34 257.422 6 ↓

Parameters Provided:

ring.id = 167378
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 = 167378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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