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Analogs

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Popular Name: 4-methyl-N-(3-morpholinopropyl)-3-nitro-aniline 4-methyl-N-(3-morpholinopropyl)-…

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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) 2.28 4.69 -8.65 1 6 0 70 279.34 6 ↓
Mid Mid (pH 6-8) 2.28 6.96 -48.53 2 6 1 72 280.348 6 ↓

Analogs

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Popular Name: 4-methyl-N1-(3-morpholinopropyl)benzene-1,3-diamine 4-methyl-N1-(3-morpholinopropyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 2 -4.9 3 4 0 51 249.358 5 ↓
Mid Mid (pH 6-8) 1.80 4.27 -39.79 4 4 1 52 250.366 5 ↓

Analogs

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Popular Name: N-(3-morpholinopropyl)-3-nitro-aniline N-(3-morpholinopropyl)-3-nitro-a…

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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) 1.88 4.05 -8.58 1 6 0 70 265.313 6 ↓
Mid Mid (pH 6-8) 1.88 6.32 -48.72 2 6 1 72 266.321 6 ↓

Analogs

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Popular Name: N1-(3-morpholinopropyl)-4-nitro-benzene-1,2-diamine N1-(3-morpholinopropyl)-4-nitro-…

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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 2.22 -9.98 3 7 0 96 280.328 6 ↓
Mid Mid (pH 6-8) 1.31 4.49 -52.18 4 7 1 98 281.336 6 ↓

Analogs

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Popular Name: 5-chloro-2-(3-morpholinopropylamino)benzenecarbothioamide 5-chloro-2-(3-morpholinopropylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 3.13 -12.17 3 4 0 51 313.854 6 ↓
Mid Mid (pH 6-8) 2.35 5.41 -50.9 4 4 1 52 314.862 6 ↓

Analogs

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Popular Name: 2-chloro-6-(3-morpholinopropylamino)benzenecarbothioamide 2-chloro-6-(3-morpholinopropylam…

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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 3.04 -12.74 3 4 0 51 313.854 6 ↓
Mid Mid (pH 6-8) 2.32 5.31 -50.81 4 4 1 52 314.862 6 ↓

Analogs

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Popular Name: N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.67 4.84 -4.03 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 2.67 7.11 -40.26 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.67 5.13 -3.78 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 2.67 7.06 -39.57 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.67 5.12 -3.82 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 2.67 7.08 -39.58 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-methylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.31 4.09 -4.08 1 3 0 24 234.343 5 ↓
Mid Mid (pH 6-8) 2.31 6.37 -39.89 2 3 1 26 235.351 5 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-methylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.31 4.09 -4.07 1 3 0 24 234.343 5 ↓
Mid Mid (pH 6-8) 2.31 6.37 -39.91 2 3 1 26 235.351 5 ↓

Analogs

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Popular Name: N-[3-[(3R)-3-methylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.27 3.94 -3.9 1 3 0 24 234.343 5 ↓
Mid Mid (pH 6-8) 2.27 6.14 -37.46 2 3 1 26 235.351 5 ↓

Analogs

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Popular Name: N-[3-[(3S)-3-methylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.27 3.94 -3.92 1 3 0 24 234.343 5 ↓
Mid Mid (pH 6-8) 2.27 6.14 -37.45 2 3 1 26 235.351 5 ↓

Analogs

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Popular Name: N-[3-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.63 4.52 -3.66 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 2.63 6.72 -38.71 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: N-[3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.63 4.69 -3.97 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 2.63 6.89 -37.73 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-ethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.81 4.92 -3.87 1 3 0 24 248.37 6 ↓
Mid Mid (pH 6-8) 2.81 7.2 -40.4 2 3 1 26 249.378 6 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-ethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.81 4.93 -3.88 1 3 0 24 248.37 6 ↓
Mid Mid (pH 6-8) 2.81 7.2 -40.43 2 3 1 26 249.378 6 ↓

Analogs

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Popular Name: N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline N-[3-(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) 2.75 5.01 -3.85 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 2.75 6.97 -39.64 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: N-[3-[(3R)-3-ethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.81 4.59 -3.82 1 3 0 24 248.37 6 ↓
Mid Mid (pH 6-8) 2.81 6.75 -37.96 2 3 1 26 249.378 6 ↓

Analogs

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Popular Name: N-[3-[(3S)-3-ethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 2.81 4.6 -3.78 1 3 0 24 248.37 6 ↓
Mid Mid (pH 6-8) 2.81 6.76 -37.91 2 3 1 26 249.378 6 ↓

Analogs

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Popular Name: N-[3-[(6R)-2,2,6-trimethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 3.11 5.74 -3.83 1 3 0 24 262.397 5 ↓
Mid Mid (pH 6-8) 3.11 7.7 -39.83 2 3 1 26 263.405 5 ↓

Analogs

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Popular Name: N-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]aniline N-[3-[(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) 3.11 5.74 -3.85 1 3 0 24 262.397 5 ↓
Mid Mid (pH 6-8) 3.11 7.71 -39.84 2 3 1 26 263.405 5 ↓

Analogs

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Popular Name: N-[3-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]propyl]aniline N-[3-[(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) 3.17 5.61 -3.57 1 3 0 24 262.397 6 ↓
Mid Mid (pH 6-8) 3.17 7.46 -37.54 2 3 1 26 263.405 6 ↓

Analogs

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Popular Name: N-[3-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]propyl]aniline N-[3-[(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) 3.17 5.35 -3.81 1 3 0 24 262.397 6 ↓
Mid Mid (pH 6-8) 3.17 7.52 -38.06 2 3 1 26 263.405 6 ↓

Analogs

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Popular Name: N-[3-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]propyl]aniline N-[3-[(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) 3.17 5.33 -3.78 1 3 0 24 262.397 6 ↓
Mid Mid (pH 6-8) 3.17 7.51 -38.08 2 3 1 26 263.405 6 ↓

Analogs

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Popular Name: N-[3-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]propyl]aniline N-[3-[(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) 3.17 5.62 -3.56 1 3 0 24 262.397 6 ↓
Mid Mid (pH 6-8) 3.17 7.48 -37.51 2 3 1 26 263.405 6 ↓

Analogs

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Popular Name: N-[3-(3,3-dimethylmorpholin-4-yl)propyl]aniline N-[3-(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) 2.75 4.32 -3.59 1 3 0 24 248.37 5 ↓
Mid Mid (pH 6-8) 2.75 6.44 -36.41 2 3 1 26 249.378 5 ↓

Analogs

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Popular Name: methyl 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) 2.18 4.79 -9.28 1 8 0 97 323.349 8 ↓

Analogs

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Popular Name: 4-methyl-N1-(3-morpholinopropyl)benzene-1,2-diamine 4-methyl-N1-(3-morpholinopropyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 2.17 -4.78 3 4 0 51 249.358 5 ↓

Analogs

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Popular Name: 4-chloro-2-(3-morpholinopropylamino)benzonitrile 4-chloro-2-(3-morpholinopropylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 4.27 -5.8 1 4 0 48 279.771 5 ↓
Mid Mid (pH 6-8) 2.30 6.55 -42.13 2 4 1 49 280.779 5 ↓

Analogs

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Popular Name: 4-chloro-2-(3-morpholinopropylamino)benzoic 4-chloro-2-(3-morpholinopropylam…

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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) 2.64 4.68 -43.93 1 5 -1 65 297.762 6 ↓
Mid Mid (pH 6-8) 2.64 6.95 -60.28 2 5 0 66 298.77 6 ↓

Analogs

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Popular Name: 4-chloro-2-(3-morpholinopropylamino)benzenecarbothioamide 4-chloro-2-(3-morpholinopropylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 3.13 -11.56 3 4 0 51 313.854 6 ↓
Mid Mid (pH 6-8) 2.35 5.4 -48.55 4 4 1 52 314.862 6 ↓

Analogs

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Popular Name: 3-chloro-4-(3-morpholinopropylamino)benzenecarbothioamide 3-chloro-4-(3-morpholinopropylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 3.17 -12.26 3 4 0 51 313.854 6 ↓
Mid Mid (pH 6-8) 2.35 5.44 -50.8 4 4 1 52 314.862 6 ↓

Analogs

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Popular Name: 3-chloro-4-(3-morpholinopropylamino)benzoic 3-chloro-4-(3-morpholinopropylam…

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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) 2.46 4.5 -49.08 1 5 -1 65 297.762 6 ↓
Mid Mid (pH 6-8) 2.46 6.79 -78.47 2 5 0 66 298.77 6 ↓

Analogs

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Popular Name: 3,5-difluoro-4-(3-morpholinopropylamino)benzoic 3,5-difluoro-4-(3-morpholinoprop…

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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) 2.04 3.98 -43.79 1 5 -1 65 299.297 6 ↓
Mid Mid (pH 6-8) 2.04 6.25 -70.67 2 5 0 66 300.305 6 ↓

Analogs

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Popular Name: 4-amino-2-(3-morpholinopropylamino)benzoic 4-amino-2-(3-morpholinopropylami…

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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) 1.04 2.05 -52.11 3 6 -1 91 278.332 6 ↓
Mid Mid (pH 6-8) 1.04 4.32 -67.54 4 6 0 92 279.34 6 ↓
Lo Low (pH 4.5-6) 1.04 2.34 -41.12 5 6 1 89 280.348 6 ↓

Analogs

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Popular Name: N-[3-(morpholin-4-yl)propyl]aniline N-[3-(morpholin-4-yl)propyl]aniline

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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 3.34 -4.04 1 3 0 24 220.316 5 ↓
Mid Mid (pH 6-8) 1.94 5.62 -39.54 2 3 1 26 221.324 5 ↓

Analogs

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Popular Name: N-(3-morpholinopropyl)-2-(trifluoromethyl)aniline N-(3-morpholinopropyl)-2-(triflu…

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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) 2.79 4.56 -4.9 1 3 0 24 288.313 6 ↓
Mid Mid (pH 6-8) 2.79 6.83 -40.39 2 3 1 26 289.321 6 ↓

Analogs

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Popular Name: N-(3-morpholinopropyl)-4-(trifluoromethyl)aniline N-(3-morpholinopropyl)-4-(triflu…

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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) 2.84 4.35 -4.98 1 3 0 24 288.313 6 ↓
Mid Mid (pH 6-8) 2.84 6.62 -43.41 2 3 1 26 289.321 6 ↓

Analogs

37875277
37875277
37875278
37875278
37876846
37876846
22144982
22144982
107739
107739

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Popular Name: N1-(3-morpholinopropyl)-4-(trifluoromethyl)benzene-1,2-diamine N1-(3-morpholinopropyl)-4-(trifl…

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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) 2.25 2.53 -5.58 3 4 0 51 303.328 6 ↓
Mid Mid (pH 6-8) 2.25 4.8 -44.11 4 4 1 52 304.336 6 ↓

Analogs

32626851
32626851

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Popular Name: methyl 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) 1.70 2.07 -7.05 3 6 0 77 293.367 7 ↓
Mid Mid (pH 6-8) 1.70 4.35 -44.38 4 6 1 78 294.375 7 ↓

Analogs

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Popular Name: (2S)-1-(4-methoxy-3-methyl-anilino)-3-morpholino-propan-2-ol (2S)-1-(4-methoxy-3-methyl-anili…

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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) 1.46 0.26 -6.66 2 5 0 54 280.368 6 ↓

Analogs

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Popular Name: (2R)-1-(4-methoxy-3-methyl-anilino)-3-morpholino-propan-2-ol (2R)-1-(4-methoxy-3-methyl-anili…

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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) 1.46 0.14 -6.64 2 5 0 54 280.368 6 ↓

Analogs

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Popular Name: (2S)-1-morpholino-3-(2-propylanilino)propan-2-ol (2S)-1-morpholino-3-(2-propylani…

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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) 2.28 2.54 -4.76 2 4 0 45 278.396 7 ↓
Mid Mid (pH 6-8) 2.28 4.81 -40.43 3 4 1 46 279.404 7 ↓

Analogs

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Popular Name: (2R)-1-morpholino-3-(2-propylanilino)propan-2-ol (2R)-1-morpholino-3-(2-propylani…

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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) 2.28 2.43 -4.8 2 4 0 45 278.396 7 ↓
Mid Mid (pH 6-8) 2.28 4.75 -40.5 3 4 1 46 279.404 7 ↓

Analogs

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Popular Name: (2S)-1-(3-ethoxyanilino)-3-morpholino-propan-2-ol (2S)-1-(3-ethoxyanilino)-3-morph…

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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 0.46 -6.89 2 5 0 54 280.368 7 ↓
Mid Mid (pH 6-8) 1.44 2.73 -42.3 3 5 1 55 281.376 7 ↓

Analogs

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Popular Name: (2R)-1-(3-ethoxyanilino)-3-morpholino-propan-2-ol (2R)-1-(3-ethoxyanilino)-3-morph…

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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 0.33 -6.91 2 5 0 54 280.368 7 ↓
Mid Mid (pH 6-8) 1.44 2.65 -42.36 3 5 1 55 281.376 7 ↓

Analogs

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Popular Name: (2S)-1-(5-bromo-2-methoxy-anilino)-3-morpholino-propan-2-ol (2S)-1-(5-bromo-2-methoxy-anilin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 0.26 -5.94 2 5 0 54 345.237 6 ↓
Mid Mid (pH 6-8) 1.82 2.53 -40.41 3 5 1 55 346.245 6 ↓

Analogs

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Popular Name: (2R)-1-(5-bromo-2-methoxy-anilino)-3-morpholino-propan-2-ol (2R)-1-(5-bromo-2-methoxy-anilin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 0.14 -5.98 2 5 0 54 345.237 6 ↓
Mid Mid (pH 6-8) 1.82 2.45 -40.46 3 5 1 55 346.245 6 ↓

Analogs

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Popular Name: (2S)-1-(4-fluoro-2-methoxy-anilino)-3-morpholino-propan-2-ol (2S)-1-(4-fluoro-2-methoxy-anili…

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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 -0.29 -6.99 2 5 0 54 284.331 6 ↓
Mid Mid (pH 6-8) 1.17 1.98 -43.33 3 5 1 55 285.339 6 ↓

Parameters Provided:

ring.id = 5406
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 = 5406 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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