UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

896875
896875

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Popular Name: Phenoxybenzamine Phenoxybenzamine

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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) 4.36 11.61 -37.43 1 2 1 14 304.841 8 ↓
Hi High (pH 8-9.5) 4.36 9.59 -3.85 0 2 0 12 303.833 8 ↓

Analogs

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Popular Name: 2-(4-bromophenoxy)-N-[(3-nitrophenyl)methyl]ethanamine 2-(4-bromophenoxy)-N-[(3-nitroph…

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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 9.26 -59.98 2 5 1 72 352.208 7 ↓
Mid Mid (pH 6-8) 3.92 7.86 -10.86 1 5 0 67 351.2 7 ↓

Analogs

11863663
11863663

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Popular Name: 4-[2-(benzyl-methyl-amino)ethoxy]benzoic 4-[2-(benzyl-methyl-amino)ethoxy…

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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) 3.33 1.82 -77.81 1 4 0 54 285.343 7 ↓

Analogs

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Popular Name: 2-[3-(aminomethyl)phenoxy]-N-methyl-N-(o-tolylmethyl)ethanamine 2-[3-(aminomethyl)phenoxy]-N-met…

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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) 2.98 8.42 -93.42 4 3 2 41 286.419 7 ↓
Hi High (pH 8-9.5) 2.98 6.13 -44.54 3 3 1 40 285.411 7 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(o-tolylmethyl)ethanamine 2-[4-(aminomethyl)phenoxy]-N-met…

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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) 3.01 8.42 -91.07 4 3 2 41 286.419 7 ↓
Hi High (pH 8-9.5) 3.01 6.13 -46.29 3 3 1 40 285.411 7 ↓

Analogs

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Popular Name: 2-[2-(aminomethyl)phenoxy]-N-methyl-N-(o-tolylmethyl)ethanamine 2-[2-(aminomethyl)phenoxy]-N-met…

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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) 2.96 8.48 -107.78 4 3 2 41 286.419 7 ↓
Hi High (pH 8-9.5) 2.96 6.17 -43 3 3 1 40 285.411 7 ↓

Analogs

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Popular Name: 2-[3-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methyl-ethanamine 2-[3-(aminomethyl)phenoxy]-N-[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 7.68 -91.64 4 3 2 41 290.382 7 ↓
Hi High (pH 8-9.5) 2.70 5.31 -46.08 3 3 1 40 289.374 7 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methyl-ethanamine 2-[4-(aminomethyl)phenoxy]-N-[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 7.68 -88.67 4 3 2 41 290.382 7 ↓
Hi High (pH 8-9.5) 2.72 5.31 -47.44 3 3 1 40 289.374 7 ↓

Analogs

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Popular Name: 2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methyl-ethanamine 2-[2-(aminomethyl)phenoxy]-N-[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 7.75 -105.69 4 3 2 41 290.382 7 ↓
Hi High (pH 8-9.5) 2.68 5.36 -43.48 3 3 1 40 289.374 7 ↓

Analogs

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Popular Name: 2-[3-(aminomethyl)phenoxy]-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamine 2-[3-(aminomethyl)phenoxy]-N-[(4…

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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 7.87 -98.93 4 3 2 41 290.382 7 ↓
Hi High (pH 8-9.5) 2.75 5.53 -45.72 3 3 1 40 289.374 7 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)phenoxy]-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamine 2-[4-(aminomethyl)phenoxy]-N-[(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 7.85 -96.74 4 3 2 41 290.382 7 ↓
Hi High (pH 8-9.5) 2.77 5.48 -47.51 3 3 1 40 289.374 7 ↓

Analogs

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Popular Name: 2-[2-(aminomethyl)phenoxy]-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamine 2-[2-(aminomethyl)phenoxy]-N-[(4…

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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) 2.72 7.92 -113.1 4 3 2 41 290.382 7 ↓

Analogs

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Popular Name: 4-[2-(benzyl-isopropyl-amino)ethoxy]benzoic 4-[2-(benzyl-isopropyl-amino)eth…

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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) 4.01 2.37 -77.26 1 4 0 54 313.397 8 ↓

Analogs

12019845
12019845

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Popular Name: (2S)-1-(isopropyl-methyl-amino)-3-[2-methoxy-4-[(methyl-(2-phenoxyethyl)amino)methyl]phenoxy]propan- (2S)-1-(isopropyl-methyl-amino)-…

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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) 3.13 1.02 -86.21 3 6 2 57 418.578 13 ↓

Analogs

12019844
12019844

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Popular Name: (2R)-1-(isopropyl-methyl-amino)-3-[2-methoxy-4-[(methyl-(2-phenoxyethyl)amino)methyl]phenoxy]propan- (2R)-1-(isopropyl-methyl-amino)-…

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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) 3.13 1.19 -86.16 3 6 2 57 418.578 13 ↓

Analogs

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Popular Name: N-benzyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanamine N-benzyl-2-[2-[(E)-prop-1-enyl]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) 4.05 9.96 -43.03 2 2 1 26 268.38 7 ↓
Hi High (pH 8-9.5) 4.05 8.61 -4.66 1 2 0 21 267.372 7 ↓

Analogs

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Popular Name: N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine N-benzyl-2-[2-(trifluoromethyl)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) 4.03 9.02 -43.52 2 2 1 26 296.312 7 ↓
Hi High (pH 8-9.5) 4.03 7.61 -7.88 1 2 0 21 295.304 7 ↓

Analogs

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Popular Name: N-benzyl-2-(2,4-difluorophenoxy)ethanamine N-benzyl-2-(2,4-difluorophenoxy)…

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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) 3.43 8.07 -46.34 2 2 1 26 264.295 6 ↓
Hi High (pH 8-9.5) 3.43 6.66 -7.23 1 2 0 21 263.287 6 ↓

Analogs

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Popular Name: N-benzyl-2-(2-bromo-4-fluoro-phenoxy)ethanamine N-benzyl-2-(2-bromo-4-fluoro-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 8.66 -46.01 2 2 1 26 325.201 6 ↓
Hi High (pH 8-9.5) 4.08 7.25 -5.98 1 2 0 21 324.193 6 ↓

Analogs

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Popular Name: N-benzyl-2-(2-propoxyphenoxy)ethanamine N-benzyl-2-(2-propoxyphenoxy)eth…

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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) 3.67 9.54 -41.36 2 3 1 35 286.395 9 ↓
Hi High (pH 8-9.5) 3.67 8.19 -6.25 1 3 0 30 285.387 9 ↓

Analogs

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Popular Name: N-benzyl-2-(2,6-dibromophenoxy)ethanamine N-benzyl-2-(2,6-dibromophenoxy)e…

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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 9.41 -37.81 2 2 1 26 386.107 6 ↓
Hi High (pH 8-9.5) 4.70 8.01 -5.04 1 2 0 21 385.099 6 ↓

Analogs

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Popular Name: N-benzyl-2-(2-bromo-4-methyl-phenoxy)ethanamine N-benzyl-2-(2-bromo-4-methyl-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) 4.36 9.27 -42.36 2 2 1 26 321.238 6 ↓
Hi High (pH 8-9.5) 4.36 7.92 -4.82 1 2 0 21 320.23 6 ↓

Analogs

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Popular Name: N-benzyl-2-(4-bromo-2-fluoro-phenoxy)ethanamine N-benzyl-2-(4-bromo-2-fluoro-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 8.62 -45.78 2 2 1 26 325.201 6 ↓
Hi High (pH 8-9.5) 4.08 7.21 -6.8 1 2 0 21 324.193 6 ↓

Analogs

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Popular Name: N-benzyl-2-(3-chloro-4-fluoro-phenoxy)ethanamine N-benzyl-2-(3-chloro-4-fluoro-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) 3.95 8.49 -48.6 2 2 1 26 280.75 6 ↓
Hi High (pH 8-9.5) 3.95 7.08 -6.12 1 2 0 21 279.742 6 ↓

Analogs

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Popular Name: N-benzyl-2-(3,4-difluorophenoxy)ethanamine N-benzyl-2-(3,4-difluorophenoxy)…

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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) 3.43 8.04 -49.98 2 2 1 26 264.295 6 ↓
Hi High (pH 8-9.5) 3.43 6.63 -6.98 1 2 0 21 263.287 6 ↓

Analogs

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Popular Name: N-benzyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine N-benzyl-2-[4-(2-methoxyethyl)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) 3.34 8.44 -43.66 2 3 1 35 286.395 9 ↓
Hi High (pH 8-9.5) 3.34 7.09 -4.78 1 3 0 30 285.387 9 ↓

Analogs

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Popular Name: N-benzyl-2-(4-methylsulfonylphenoxy)ethanamine N-benzyl-2-(4-methylsulfonylphen…

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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) 2.05 5.48 -53.83 2 4 1 60 306.407 7 ↓
Hi High (pH 8-9.5) 2.05 4.13 -11.99 1 4 0 55 305.399 7 ↓

Analogs

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Popular Name: N-benzyl-2-(3-methylsulfonylphenoxy)ethanamine N-benzyl-2-(3-methylsulfonylphen…

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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) 2.02 5.48 -52.45 2 4 1 60 306.407 7 ↓
Hi High (pH 8-9.5) 2.02 4.13 -13.09 1 4 0 55 305.399 7 ↓

Analogs

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Popular Name: 3-[2-(benzylamino)ethoxy]-N,N-dimethyl-aniline 3-[2-(benzylamino)ethoxy]-N,N-di…

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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) 3.26 8.34 -42.49 2 3 1 29 271.384 7 ↓
Hi High (pH 8-9.5) 3.26 6.99 -5.35 1 3 0 24 270.376 7 ↓

Analogs

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Popular Name: 4-fluoro-3-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]benzonitrile 4-fluoro-3-[[2-(4-methoxyphenoxy…

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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) 3.33 7.12 -9.06 0 4 0 45 314.36 7 ↓

Analogs

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Popular Name: 4-[2-(benzyl-isopropyl-amino)ethoxy]-N,N-dimethyl-benzenesulfonamide 4-[2-(benzyl-isopropyl-amino)eth…

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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) 3.41 9.05 -48.04 1 5 1 51 377.53 9 ↓

Analogs

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Popular Name: 2-bromo-4-[(2-phenoxyethylamino)methyl]phenol 2-bromo-4-[(2-phenoxyethylamino)…

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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) 3.70 5.74 -48.25 3 3 1 46 323.21 6 ↓
Hi High (pH 8-9.5) 3.70 6.5 -62.11 2 3 0 49 322.202 6 ↓
Mid Mid (pH 6-8) 3.70 4.39 -5.9 2 3 0 41 322.202 6 ↓

Analogs

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Popular Name: 2-bromo-4-[[2-(3-methylphenoxy)ethylamino]methyl]phenol 2-bromo-4-[[2-(3-methylphenoxy)e…

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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) 4.12 6.42 -48.23 3 3 1 46 337.237 6 ↓
Hi High (pH 8-9.5) 4.12 7.17 -62.15 2 3 0 49 336.229 6 ↓
Hi High (pH 8-9.5) 4.12 5.07 -5.99 2 3 0 41 336.229 6 ↓

Analogs

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Popular Name: N-benzyl-N-(2-phenoxyethyl)propan-2-amine N-benzyl-N-(2-phenoxyethyl)propa…

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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) 4.10 10.69 -36.58 1 2 1 14 270.396 7 ↓
Hi High (pH 8-9.5) 4.10 8.89 -3.38 0 2 0 12 269.388 7 ↓

Analogs

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Popular Name: 3-[[2-(2-methoxyphenoxy)ethyl-methyl-amino]methyl]-N,N-dimethyl-benzamide 3-[[2-(2-methoxyphenoxy)ethyl-me…

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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) 1.98 9.47 -44.57 1 5 0 43 343.447 8 ↓
Mid Mid (pH 6-8) 1.98 7.11 -17.03 0 5 0 42 342.439 8 ↓

Analogs

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Popular Name: N-[(2-bromo-4-fluoro-phenyl)methyl]-2-phenoxy-ethanamine N-[(2-bromo-4-fluoro-phenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 8.55 -42.42 2 2 1 26 325.201 6 ↓
Hi High (pH 8-9.5) 4.08 7.15 -4.55 1 2 0 21 324.193 6 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine N-benzyl-N-methyl-2-[2-(methylam…

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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) 2.93 9.72 -100.77 3 3 2 30 286.419 8 ↓
Hi High (pH 8-9.5) 2.93 7.34 -36 2 3 1 29 285.411 8 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-2-[3-(methylaminomethyl)phenoxy]ethanamine N-benzyl-N-methyl-2-[3-(methylam…

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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) 2.96 9.68 -87.33 3 3 2 30 286.419 8 ↓
Hi High (pH 8-9.5) 2.96 7.32 -39.43 2 3 1 29 285.411 8 ↓

Analogs

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Popular Name: N-benzyl-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine N-benzyl-N-methyl-2-[4-(methylam…

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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) 2.98 9.68 -86.42 3 3 2 30 286.419 8 ↓
Hi High (pH 8-9.5) 2.98 7.32 -41.65 2 3 1 29 285.411 8 ↓

Analogs

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Popular Name: N-benzyl-2-(2,3-difluorophenoxy)ethanamine N-benzyl-2-(2,3-difluorophenoxy)…

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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) 3.41 8.06 -47.82 2 2 1 26 264.295 6 ↓
Hi High (pH 8-9.5) 3.41 6.65 -10.08 1 2 0 21 263.287 6 ↓

Analogs

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Popular Name: (2S)-2-[2-(3-bromophenoxy)ethylamino]-2-phenyl-ethanol (2S)-2-[2-(3-bromophenoxy)ethyla…

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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) 3.51 6.09 -42.25 3 3 1 46 337.237 7 ↓
Hi High (pH 8-9.5) 3.51 4.94 -7.42 2 3 0 41 336.229 7 ↓

Analogs

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Popular Name: (2R)-2-[2-(3-bromophenoxy)ethylamino]-2-phenyl-ethanol (2R)-2-[2-(3-bromophenoxy)ethyla…

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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) 3.51 6.09 -43.06 3 3 1 46 337.237 7 ↓
Hi High (pH 8-9.5) 3.51 4.84 -6.95 2 3 0 41 336.229 7 ↓

Analogs

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Popular Name: (2S)-2-[2-(4-bromophenoxy)ethylamino]-2-phenyl-ethanol (2S)-2-[2-(4-bromophenoxy)ethyla…

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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) 3.54 6.08 -42.68 3 3 1 46 337.237 7 ↓
Hi High (pH 8-9.5) 3.54 4.95 -6.47 2 3 0 41 336.229 7 ↓

Analogs

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Popular Name: (2R)-2-[2-(4-bromophenoxy)ethylamino]-2-phenyl-ethanol (2R)-2-[2-(4-bromophenoxy)ethyla…

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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) 3.54 6.08 -43.3 3 3 1 46 337.237 7 ↓
Hi High (pH 8-9.5) 3.54 4.84 -6.09 2 3 0 41 336.229 7 ↓

Analogs

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Popular Name: N-benzyl-2-(3,5-difluorophenoxy)ethanamine N-benzyl-2-(3,5-difluorophenoxy)…

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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) 3.43 8.07 -46.45 2 2 1 26 264.295 6 ↓
Hi High (pH 8-9.5) 3.43 6.66 -4.41 1 2 0 21 263.287 6 ↓

Analogs

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Popular Name: (3R)-3-(2-phenoxyethylamino)-3-phenyl-propanenitrile (3R)-3-(2-phenoxyethylamino)-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) 1.92 7.64 -8.15 1 3 0 45 266.344 7 ↓
Mid Mid (pH 6-8) 1.92 8.92 -46.49 2 3 1 50 267.352 7 ↓

Analogs

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Popular Name: (3S)-3-(2-phenoxyethylamino)-3-phenyl-propanenitrile (3S)-3-(2-phenoxyethylamino)-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) 1.92 7.62 -8.09 1 3 0 45 266.344 7 ↓
Mid Mid (pH 6-8) 1.92 8.93 -47.05 2 3 1 50 267.352 7 ↓

Analogs

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Popular Name: (3S)-3-[2-(3-methylphenoxy)ethylamino]-3-phenyl-propanenitrile (3S)-3-[2-(3-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 8.37 -7.97 1 3 0 45 280.371 7 ↓
Mid Mid (pH 6-8) 2.34 9.59 -47.28 2 3 1 50 281.379 7 ↓

Analogs

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Popular Name: (3R)-3-[2-(3-methylphenoxy)ethylamino]-3-phenyl-propanenitrile (3R)-3-[2-(3-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 8.35 -6.69 1 3 0 45 280.371 7 ↓
Mid Mid (pH 6-8) 2.34 9.58 -46.5 2 3 1 50 281.379 7 ↓

Analogs

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Popular Name: N-[(2,5-difluorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine N-[(2,5-difluorophenyl)methyl]-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 7.91 -41.8 2 3 1 35 294.321 7 ↓
Mid Mid (pH 6-8) 3.05 6.55 -7.06 1 3 0 30 293.313 7 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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