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Analogs

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Popular Name: (1S)-1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(3-phenylprop…

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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) 5.04 10.41 -45.35 2 2 1 26 304.841 7 ↓
Hi High (pH 8-9.5) 5.04 9.23 -4.76 1 2 0 21 303.833 7 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(3-phenylprop…

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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) 5.04 10.42 -45.39 2 2 1 26 304.841 7 ↓
Hi High (pH 8-9.5) 5.04 9.24 -5.5 1 2 0 21 303.833 7 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(3-phenylpropoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(3-phenylpropo…

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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) 5.17 10.53 -45.36 2 2 1 26 349.292 7 ↓
Hi High (pH 8-9.5) 5.17 9.35 -4.65 1 2 0 21 348.284 7 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(3-phenylpropoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(3-phenylpropo…

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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) 5.17 10.53 -45.35 2 2 1 26 349.292 7 ↓
Hi High (pH 8-9.5) 5.17 9.35 -5.39 1 2 0 21 348.284 7 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(3-phenylpropoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(3-phenylpropo…

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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) 2.92 8.75 -50.97 3 2 1 37 335.265 6 ↓
Hi High (pH 8-9.5) 2.92 8.42 -5.41 2 2 0 35 334.257 6 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(3-phenylpropoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(3-phenylpropo…

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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) 2.92 8.75 -50.94 3 2 1 37 335.265 6 ↓
Hi High (pH 8-9.5) 2.92 8.42 -5.75 2 2 0 35 334.257 6 ↓

Analogs

43445854
43445854
43445855
43445855

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Popular Name: (1S)-1-[2-(3-phenylpropoxy)phenyl]propan-1-ol (1S)-1-[2-(3-phenylpropoxy)pheny…

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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) 4.34 8.52 -5.77 1 2 0 29 270.372 7 ↓

Analogs

43445854
43445854
43445855
43445855

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Popular Name: (1R)-1-[2-(3-phenylpropoxy)phenyl]propan-1-ol (1R)-1-[2-(3-phenylpropoxy)pheny…

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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) 4.34 8.52 -5.77 1 2 0 29 270.372 7 ↓

Analogs

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Popular Name: benzenemethanol, a-methyl-4-(3-phenylpropoxy)- benzenemethanol, a-methyl-4-(3-p…

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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) 3.88 7.6 -5.89 1 2 0 29 256.345 6 ↓

Analogs

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Popular Name: benzenemethanol, a-methyl-4-(3-phenylpropoxy)- benzenemethanol, a-methyl-4-(3-p…

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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) 3.88 7.57 -5.92 1 2 0 29 256.345 6 ↓

Analogs

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Popular Name: (1S)-1-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethanol (1S)-1-[3-methoxy-4-(3-phenylpro…

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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) 3.47 7.5 -8.66 1 3 0 39 286.371 7 ↓

Analogs

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Popular Name: (1R)-1-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethanol (1R)-1-[3-methoxy-4-(3-phenylpro…

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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) 3.47 7.46 -8.67 1 3 0 39 286.371 7 ↓

Analogs

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Popular Name: benzenemethanol, a-methyl-2-(3-phenylpropoxy)- benzenemethanol, a-methyl-2-(3-p…

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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) 3.83 7.61 -5.19 1 2 0 29 256.345 6 ↓

Analogs

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Popular Name: benzenemethanol, a-methyl-2-(3-phenylpropoxy)- benzenemethanol, a-methyl-2-(3-p…

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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) 3.83 7.6 -5.2 1 2 0 29 256.345 6 ↓

Analogs

43445862
43445862
43445863
43445863

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Popular Name: (2S)-4-[4-(3-phenylpropoxy)phenyl]butan-2-ol (2S)-4-[4-(3-phenylpropoxy)pheny…

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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) 4.74 9.04 -5.7 1 2 0 29 284.399 8 ↓

Analogs

43444371
43444371
43444372
43444372
43445862
43445862
43445863
43445863

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Popular Name: (2R)-4-[4-(3-phenylpropoxy)phenyl]butan-2-ol (2R)-4-[4-(3-phenylpropoxy)pheny…

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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) 4.74 9.04 -5.68 1 2 0 29 284.399 8 ↓

Analogs

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Popular Name: (1S)-1-[3-(3-phenylpropoxy)phenyl]ethanol (1S)-1-[3-(3-phenylpropoxy)pheny…

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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) 3.86 7.6 -6.06 1 2 0 29 256.345 6 ↓

Analogs

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Popular Name: (1R)-1-[3-(3-phenylpropoxy)phenyl]ethanol (1R)-1-[3-(3-phenylpropoxy)pheny…

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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) 3.86 7.56 -6.15 1 2 0 29 256.345 6 ↓

Analogs

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Popular Name: benzenemethanol, a-ethyl-4-(3-phenylpropoxy)- benzenemethanol, a-ethyl-4-(3-ph…

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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) 4.38 8.44 -5.69 1 2 0 29 270.372 7 ↓

Analogs

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Popular Name: benzenemethanol, a-ethyl-4-(3-phenylpropoxy)- benzenemethanol, a-ethyl-4-(3-ph…

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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) 4.38 8.4 -5.67 1 2 0 29 270.372 7 ↓

Analogs

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Popular Name: 1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanone 1-[5-methyl-2-(3-phenylpropoxy)p…

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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) 4.66 8.7 -8.61 1 3 0 42 283.371 6 ↓

Analogs

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Popular Name: (1R)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanamine (1R)-1-[5-methyl-2-(3-phenylprop…

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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) 2.56 8.85 -42.68 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanamine (1S)-1-[5-methyl-2-(3-phenylprop…

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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) 2.56 8.87 -42.85 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanamine (1R)-N-methyl-1-[5-methyl-2-(3-p…

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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) 4.81 10.66 -37.33 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanamine (1S)-N-methyl-1-[5-methyl-2-(3-p…

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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) 4.81 10.68 -37.49 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (1R)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol (1R)-1-[5-methyl-2-(3-phenylprop…

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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) 4.26 8.27 -6.07 1 2 0 29 270.372 6 ↓

Analogs

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Popular Name: (1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol (1S)-1-[5-methyl-2-(3-phenylprop…

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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) 4.26 8.28 -6.08 1 2 0 29 270.372 6 ↓

Analogs

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Popular Name: benzenebutanamide, N-(3-amino-3-oxopropyl)-a-[4-(1-methylethyl)phenoxy]- benzenebutanamide, N-(3-amino-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) 3.92 8.06 -25.4 3 5 0 81 368.477 10 ↓

Analogs

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Popular Name: benzenebutanamide, N-(3-amino-3-oxopropyl)-a-[4-(1-methylethyl)phenoxy]- benzenebutanamide, N-(3-amino-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) 3.92 7.83 -26.88 3 5 0 81 368.477 10 ↓

Analogs

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Popular Name: 5-nitro-2-(3-phenylpropoxy)aniline 5-nitro-2-(3-phenylpropoxy)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) 3.69 8.03 -7.96 2 5 0 81 272.304 6 ↓

Analogs

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Popular Name: 5-chloro-2-(3-phenylpropoxy)benzamidine 5-chloro-2-(3-phenylpropoxy)benz…

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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) 3.31 7.46 -31.66 4 3 1 61 289.786 6 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-(3-phenylpropoxy)benzamidine 5-chloro-N'-hydroxy-2-(3-phenylp…

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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) 3.24 6.35 -8.68 3 4 0 68 304.777 6 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-3-phenoxy-propan-1-ol (1S)-1-(2-fluorophenyl)-3-phenox…

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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 6.27 -6.64 1 2 0 29 246.281 5 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-3-phenoxy-propan-1-ol (1R)-1-(2-fluorophenyl)-3-phenox…

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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 6.27 -6.64 1 2 0 29 246.281 5 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-3-phenoxy-propan-1-amine (1S)-1-(2-fluorophenyl)-3-phenox…

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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) 1.50 6.76 -51.21 3 2 1 37 246.305 5 ↓
Hi High (pH 8-9.5) 1.50 6.46 -5.68 2 2 0 35 245.297 5 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-3-phenoxy-propan-1-amine (1R)-1-(2-fluorophenyl)-3-phenox…

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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) 1.50 6.76 -50.83 3 2 1 37 246.305 5 ↓
Hi High (pH 8-9.5) 1.50 6.4 -5.96 2 2 0 35 245.297 5 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-N-methyl-3-phenoxy-propan-1-amine (1S)-1-(2-fluorophenyl)-N-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) 2.85 8.36 -45.08 2 2 1 26 260.332 6 ↓
Hi High (pH 8-9.5) 2.85 7.58 -5.03 1 2 0 21 259.324 6 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-N-methyl-3-phenoxy-propan-1-amine (1R)-1-(2-fluorophenyl)-N-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) 2.85 8.39 -44.39 2 2 1 26 260.332 6 ↓
Hi High (pH 8-9.5) 2.85 7.33 -5.37 1 2 0 21 259.324 6 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-fluorophenyl)-3-phenoxy-propan-1-amine (1S)-N-ethyl-1-(2-fluorophenyl)-…

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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) 3.22 9.2 -42.66 2 2 1 26 274.359 7 ↓
Hi High (pH 8-9.5) 3.22 8.5 -4.76 1 2 0 21 273.351 7 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-fluorophenyl)-3-phenoxy-propan-1-amine (1R)-N-ethyl-1-(2-fluorophenyl)-…

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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) 3.22 9.22 -42.06 2 2 1 26 274.359 7 ↓
Hi High (pH 8-9.5) 3.22 8.26 -5.07 1 2 0 21 273.351 7 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-3-phenoxy-N-propyl-propan-1-amine (1S)-1-(2-fluorophenyl)-3-phenox…

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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) 3.72 9.94 -43.11 2 2 1 26 288.386 8 ↓
Hi High (pH 8-9.5) 3.72 9.32 -4.7 1 2 0 21 287.378 8 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-3-phenoxy-N-propyl-propan-1-amine (1R)-1-(2-fluorophenyl)-3-phenox…

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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) 3.72 9.98 -42.83 2 2 1 26 288.386 8 ↓
Hi High (pH 8-9.5) 3.72 9.01 -4.98 1 2 0 21 287.378 8 ↓

Analogs

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Popular Name: [2-chloro-6-(3-phenylpropoxy)phenyl]methanamine [2-chloro-6-(3-phenylpropoxy)phe…

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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) 4.08 7.83 -37.47 3 2 1 37 276.787 6 ↓
Hi High (pH 8-9.5) 4.08 7.43 -5.2 2 2 0 35 275.779 6 ↓

Analogs

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Popular Name: 2-chloro-6-(3-phenylpropoxy)benzamidine 2-chloro-6-(3-phenylpropoxy)benz…

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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) 3.28 7.14 -28.5 4 3 1 61 289.786 6 ↓

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-(3-phenylpropoxy)benzamidine 2-chloro-N'-hydroxy-6-(3-phenylp…

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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) 3.21 6 -10.16 3 4 0 68 304.777 6 ↓

Analogs

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Popular Name: 2-chloro-6-(3-phenylpropoxy)benzenecarbothioamide 2-chloro-6-(3-phenylpropoxy)benz…

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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) 4.70 9.01 -14.78 2 2 0 35 305.83 6 ↓

Analogs

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Popular Name: 2-chloro-6-(3-phenylpropoxy)benzonitrile 2-chloro-6-(3-phenylpropoxy)benz…

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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) 4.65 10.17 -11.08 0 2 0 33 271.747 5 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethylphenyl)-3-phenoxy-propan-1-ol (1R)-1-(2,5-dimethylphenyl)-3-ph…

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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) 3.90 7.42 -5.46 1 2 0 29 256.345 5 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethylphenyl)-3-phenoxy-propan-1-ol (1S)-1-(2,5-dimethylphenyl)-3-ph…

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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) 3.90 7.37 -5.48 1 2 0 29 256.345 5 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethylphenyl)-3-phenoxy-propan-1-amine (1R)-1-(2,5-dimethylphenyl)-3-ph…

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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) 2.20 7.88 -50.05 3 2 1 37 256.369 5 ↓
Hi High (pH 8-9.5) 2.20 7.55 -5.1 2 2 0 35 255.361 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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