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Analogs

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Popular Name: (1S)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]propan-1-ol (1S)-3-phenyl-1-[3-(trifluoromet…

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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) 4.39 7.2 -5.14 1 2 0 29 296.288 6 ↓

Analogs

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Popular Name: (1R)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]propan-1-ol (1R)-3-phenyl-1-[3-(trifluoromet…

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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) 4.39 7.16 -5.15 1 2 0 29 296.288 6 ↓

Analogs

42405109
42405109
42405111
42405111

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Popular Name: (1S)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (1S)-3-phenyl-1-[3-(trifluoromet…

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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) 2.69 7.65 -55.08 3 2 1 37 296.312 6 ↓
Hi High (pH 8-9.5) 2.69 7.3 -4.4 2 2 0 35 295.304 6 ↓

Analogs

42405109
42405109
42405111
42405111

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Popular Name: (1R)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine (1R)-3-phenyl-1-[3-(trifluoromet…

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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) 2.69 7.65 -55 3 2 1 37 296.312 6 ↓
Hi High (pH 8-9.5) 2.69 7.35 -3.8 2 2 0 35 295.304 6 ↓

Analogs

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Popular Name: (1R)-1-(4-isopropoxyphenyl)-N-methyl-3-phenyl-propan-1-amine (1R)-1-(4-isopropoxyphenyl)-N-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) 3.90 10.43 -45.86 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (1S)-1-(4-isopropoxyphenyl)-N-methyl-3-phenyl-propan-1-amine (1S)-1-(4-isopropoxyphenyl)-N-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) 3.90 10.43 -46.07 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-3-phenyl-propan-1-amine (1S)-1-(5-fluoro-2-methoxy-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) 3.25 8.94 -43.1 2 2 1 26 274.359 6 ↓
Hi High (pH 8-9.5) 3.25 8.15 -4.79 1 2 0 21 273.351 6 ↓

Analogs

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Popular Name: (1R)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-3-phenyl-propan-1-amine (1R)-1-(5-fluoro-2-methoxy-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) 3.25 8.95 -42.98 2 2 1 26 274.359 6 ↓
Hi High (pH 8-9.5) 3.25 7.92 -4.31 1 2 0 21 273.351 6 ↓

Analogs

35501549
35501549

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Popular Name: (1S)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-methyl-propan-1-amine (1S)-1-(3,4-dichlorophenyl)-3-(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) 4.44 9.84 -53.82 2 2 1 26 325.259 6 ↓
Hi High (pH 8-9.5) 4.44 8.71 -6.1 1 2 0 21 324.251 6 ↓

Analogs

35501548
35501548

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Popular Name: (1R)-1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-methyl-propan-1-amine (1R)-1-(3,4-dichlorophenyl)-3-(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) 4.44 9.85 -54.2 2 2 1 26 325.259 6 ↓
Hi High (pH 8-9.5) 4.44 8.73 -5.44 1 2 0 21 324.251 6 ↓

Analogs

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Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-methyl-3-phenyl-propan-1-amine (1S)-1-(3,4-dichlorophenyl)-N-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) 4.38 10.54 -51.03 2 1 1 17 295.233 5 ↓
Hi High (pH 8-9.5) 4.38 9.41 -4.24 1 1 0 12 294.225 5 ↓

Analogs

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Popular Name: (1R)-1-(3,4-dichlorophenyl)-N-methyl-3-phenyl-propan-1-amine (1R)-1-(3,4-dichlorophenyl)-N-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) 4.38 10.55 -50.96 2 1 1 17 295.233 5 ↓
Hi High (pH 8-9.5) 4.38 9.43 -3.76 1 1 0 12 294.225 5 ↓

Analogs

35501916
35501916

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Popular Name: (1S)-1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)-N-methyl-propan-1-amine (1S)-1-(2,5-dichlorophenyl)-3-(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) 4.44 9.69 -46.06 2 2 1 26 325.259 6 ↓
Hi High (pH 8-9.5) 4.44 8.95 -4.41 1 2 0 21 324.251 6 ↓

Analogs

35501915
35501915

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Popular Name: (1R)-1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)-N-methyl-propan-1-amine (1R)-1-(2,5-dichlorophenyl)-3-(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) 4.44 9.76 -46.31 2 2 1 26 325.259 6 ↓
Hi High (pH 8-9.5) 4.44 8.73 -4.12 1 2 0 21 324.251 6 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dichlorophenyl)-N-methyl-3-phenyl-propan-1-amine (1S)-1-(2,5-dichlorophenyl)-N-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) 4.38 10.39 -43.36 2 1 1 17 295.233 5 ↓
Hi High (pH 8-9.5) 4.38 9.65 -2.83 1 1 0 12 294.225 5 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dichlorophenyl)-N-methyl-3-phenyl-propan-1-amine (1R)-1-(2,5-dichlorophenyl)-N-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) 4.38 10.46 -43.11 2 1 1 17 295.233 5 ↓
Hi High (pH 8-9.5) 4.38 9.43 -2.56 1 1 0 12 294.225 5 ↓

Analogs

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Popular Name: (1R)-1-(3,4-dimethylphenyl)-3-phenyl-propan-1-ol (1R)-1-(3,4-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) 4.27 8.6 -4.47 1 1 0 20 240.346 4 ↓

Analogs

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Popular Name: (1S)-1-(3,4-dimethylphenyl)-3-phenyl-propan-1-ol (1S)-1-(3,4-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) 4.27 8.62 -4.54 1 1 0 20 240.346 4 ↓

Analogs

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

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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) 3.56 7.47 -5.53 1 1 0 20 230.282 4 ↓

Analogs

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

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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) 3.56 7.47 -5.54 1 1 0 20 230.282 4 ↓

Analogs

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

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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) 1.86 7.94 -50.7 3 1 1 28 230.306 4 ↓
Hi High (pH 8-9.5) 1.86 7.66 -4.3 2 1 0 26 229.298 4 ↓

Analogs

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

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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) 1.86 7.94 -50.36 3 1 1 28 230.306 4 ↓
Hi High (pH 8-9.5) 1.86 7.59 -4.8 2 1 0 26 229.298 4 ↓

Analogs

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Popular Name: (1S)-1-(2-fluorophenyl)-N-methyl-3-phenyl-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) 3.21 9.55 -44.25 2 1 1 17 244.333 5 ↓
Hi High (pH 8-9.5) 3.21 8.75 -3.99 1 1 0 12 243.325 5 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-N-methyl-3-phenyl-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) 3.21 9.57 -43.96 2 1 1 17 244.333 5 ↓
Hi High (pH 8-9.5) 3.21 8.52 -4.13 1 1 0 12 243.325 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-fluorophenyl)-3-phenyl-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) 3.59 10.38 -41.85 2 1 1 17 258.36 6 ↓
Hi High (pH 8-9.5) 3.59 9.68 -3.71 1 1 0 12 257.352 6 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-fluorophenyl)-3-phenyl-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) 3.59 10.4 -41.62 2 1 1 17 258.36 6 ↓
Hi High (pH 8-9.5) 3.59 9.46 -3.87 1 1 0 12 257.352 6 ↓

Analogs

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

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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) 4.09 11.12 -42.68 2 1 1 17 272.387 7 ↓
Hi High (pH 8-9.5) 4.09 10.43 -3.66 1 1 0 12 271.379 7 ↓

Analogs

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

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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) 4.09 11.16 -42.51 2 1 1 17 272.387 7 ↓
Hi High (pH 8-9.5) 4.09 10.21 -3.8 1 1 0 12 271.379 7 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(4-bromo-2-fluoro-phenyl)propan-1-amine (2S)-2-benzyl-3-(4-bromo-2-fluor…

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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) 4.00 8.82 -53.43 3 1 1 28 323.229 5 ↓

Analogs

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Popular Name: (2R)-2-benzyl-3-(4-bromo-2-fluoro-phenyl)propan-1-amine (2R)-2-benzyl-3-(4-bromo-2-fluor…

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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) 4.00 8.82 -48.54 3 1 1 28 323.229 5 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (2S)-2-benzyl-3-[3-(trifluoromet…

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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) 3.97 9.16 -54.08 3 1 1 28 294.34 6 ↓

Analogs

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Popular Name: (2R)-2-benzyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (2R)-2-benzyl-3-[3-(trifluoromet…

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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) 3.97 9.18 -51.77 3 1 1 28 294.34 6 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(5-bromo-2-fluoro-phenyl)propan-1-amine (2S)-2-benzyl-3-(5-bromo-2-fluor…

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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) 4.00 8.82 -49.95 3 1 1 28 323.229 5 ↓

Analogs

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Popular Name: (2R)-2-benzyl-3-(5-bromo-2-fluoro-phenyl)propan-1-amine (2R)-2-benzyl-3-(5-bromo-2-fluor…

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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) 4.00 8.81 -46.99 3 1 1 28 323.229 5 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(2-chloro-4-fluoro-phenyl)propan-1-amine (2S)-2-benzyl-3-(2-chloro-4-fluo…

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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) 3.87 8.64 -53.07 3 1 1 28 278.778 5 ↓

Analogs

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Popular Name: (2R)-2-benzyl-3-(2-chloro-4-fluoro-phenyl)propan-1-amine (2R)-2-benzyl-3-(2-chloro-4-fluo…

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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) 3.87 8.64 -48.64 3 1 1 28 278.778 5 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(2-bromophenyl)propan-1-amine (2S)-2-benzyl-3-(2-bromophenyl)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) 3.86 8.64 -49.14 3 1 1 28 305.239 5 ↓

Analogs

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Popular Name: (2R)-2-benzyl-3-(2-bromophenyl)propan-1-amine (2R)-2-benzyl-3-(2-bromophenyl)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) 3.86 8.63 -43.9 3 1 1 28 305.239 5 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(2-bromo-4-fluoro-phenyl)propan-1-amine (2S)-2-benzyl-3-(2-bromo-4-fluor…

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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) 4.00 8.71 -52.93 3 1 1 28 323.229 5 ↓

Analogs

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Popular Name: (2R)-2-benzyl-3-(2-bromo-4-fluoro-phenyl)propan-1-amine (2R)-2-benzyl-3-(2-bromo-4-fluor…

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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) 4.00 8.7 -48.23 3 1 1 28 323.229 5 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(3-bromo-4-fluoro-phenyl)propan-1-amine (2S)-2-benzyl-3-(3-bromo-4-fluor…

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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) 4.00 8.8 -55.81 3 1 1 28 323.229 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-(3-bromo-4-fluoro-phenyl)propan-1-amine (2R)-2-benzyl-3-(3-bromo-4-fluor…

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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) 4.00 8.81 -55.04 3 1 1 28 323.229 5 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(2-bromo-5-fluoro-phenyl)propan-1-amine (2S)-2-benzyl-3-(2-bromo-5-fluor…

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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) 4.00 8.71 -49.48 3 1 1 28 323.229 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-(2-bromo-5-fluoro-phenyl)propan-1-amine (2R)-2-benzyl-3-(2-bromo-5-fluor…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 8.7 -46.58 3 1 1 28 323.229 5 ↓

Analogs

41350701
41350701
41350705
41350705

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-(2,3-difluorophenyl)propan-1-amine (2S)-2-benzyl-3-(2,3-difluorophe…

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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 8.25 -56.2 3 1 1 28 262.323 5 ↓

Analogs

41350701
41350701
41350705
41350705

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-(2,3-difluorophenyl)propan-1-amine (2R)-2-benzyl-3-(2,3-difluorophe…

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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 8.25 -49.24 3 1 1 28 262.323 5 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-(2,4-difluorophenyl)propan-1-amine (2S)-2-benzyl-3-(2,4-difluorophe…

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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) 3.35 8.25 -54.28 3 1 1 28 262.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-(2,4-difluorophenyl)propan-1-amine (2R)-2-benzyl-3-(2,4-difluorophe…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 8.27 -49.39 3 1 1 28 262.323 5 ↓

Analogs

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

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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 9.47 -48.61 3 1 1 28 254.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-(3,5-dimethylphenyl)propan-1-amine (2S)-2-benzyl-3-(3,5-dimethylphe…

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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 9.48 -48.6 3 1 1 28 254.397 5 ↓

Parameters Provided:

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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 = 8156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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