UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608141
43608141

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Popular Name: N-[(S)-2-furyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine N-[(S)-2-furyl-[3-(trifluorometh…

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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) 3.78 8.08 -40.48 2 2 1 30 270.274 5 ↓
Hi High (pH 8-9.5) 3.78 6.93 -4.52 1 2 0 25 269.266 5 ↓

Analogs

43608139
43608139

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Popular Name: N-[(R)-2-furyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine N-[(R)-2-furyl-[3-(trifluorometh…

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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) 3.78 8.08 -40.56 2 2 1 30 270.274 5 ↓
Hi High (pH 8-9.5) 3.78 6.99 -4.12 1 2 0 25 269.266 5 ↓

Analogs

43608144
43608144

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Popular Name: N-[(R)-(2,6-dimethoxyphenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2,6-dimethoxyphenyl)-(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) 2.93 6.23 -27.98 2 4 1 48 262.329 6 ↓

Analogs

43608142
43608142

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Popular Name: N-[(S)-(2,6-dimethoxyphenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2,6-dimethoxyphenyl)-(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) 2.93 6.25 -27.96 2 4 1 48 262.329 6 ↓

Analogs

43608147
43608147

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Popular Name: N-[(R)-(2,6-dichlorophenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2,6-dichlorophenyl)-(2-f…

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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) 4.17 8.01 -27.31 2 2 1 30 271.167 4 ↓
Hi High (pH 8-9.5) 4.17 7.57 -4.01 1 2 0 25 270.159 4 ↓

Analogs

43608146
43608146

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Popular Name: N-[(S)-(2,6-dichlorophenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2,6-dichlorophenyl)-(2-f…

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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) 4.17 8.01 -27.31 2 2 1 30 271.167 4 ↓
Hi High (pH 8-9.5) 4.17 7.39 -4.51 1 2 0 25 270.159 4 ↓

Analogs

43608151
43608151

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Popular Name: N-[(R)-(2-chloro-6-fluoro-phenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2-chloro-6-fluoro-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) 3.65 7.56 -28.59 2 2 1 30 254.712 4 ↓
Hi High (pH 8-9.5) 3.65 6.49 -5.16 1 2 0 25 253.704 4 ↓

Analogs

43608149
43608149

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Popular Name: N-[(S)-(2-chloro-6-fluoro-phenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2-chloro-6-fluoro-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) 3.65 7.55 -28.57 2 2 1 30 254.712 4 ↓
Hi High (pH 8-9.5) 3.65 6.62 -5.76 1 2 0 25 253.704 4 ↓

Analogs

43608154
43608154

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Popular Name: N-[(S)-(2,3-dichlorophenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2,3-dichlorophenyl)-(2-f…

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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) 4.17 7.93 -38.32 2 2 1 30 271.167 4 ↓
Hi High (pH 8-9.5) 4.17 6.79 -5.03 1 2 0 25 270.159 4 ↓

Analogs

43608153
43608153

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Popular Name: N-[(R)-(2,3-dichlorophenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2,3-dichlorophenyl)-(2-f…

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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) 4.17 7.88 -38.87 2 2 1 30 271.167 4 ↓
Hi High (pH 8-9.5) 4.17 6.94 -4.28 1 2 0 25 270.159 4 ↓

Analogs

43608190
43608190

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Popular Name: N-[(S)-(2-bromo-4-fluoro-phenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2-bromo-4-fluoro-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) 3.81 7.32 -37.46 2 2 1 30 299.163 4 ↓
Hi High (pH 8-9.5) 3.81 6.5 -3.92 1 2 0 25 298.155 4 ↓

Analogs

43608187
43608187

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Popular Name: N-[(R)-(2-bromo-4-fluoro-phenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2-bromo-4-fluoro-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) 3.81 7.53 -38.7 2 2 1 30 299.163 4 ↓

Analogs

43608225
43608225

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Popular Name: N-[(S)-2-furyl(o-tolyl)methyl]ethanamine N-[(S)-2-furyl(o-tolyl)methyl]et…

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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 7.2 -34.49 2 2 1 30 216.304 4 ↓

Analogs

43608222
43608222

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Popular Name: N-[(R)-2-furyl(o-tolyl)methyl]ethanamine N-[(R)-2-furyl(o-tolyl)methyl]et…

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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 7.54 -35.51 2 2 1 30 216.304 4 ↓

Analogs

43608241
43608241

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Popular Name: N-[(R)-(3,5-dichlorophenyl)-(2-furyl)methyl]ethanamine N-[(R)-(3,5-dichlorophenyl)-(2-f…

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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) 4.19 8.09 -39.53 2 2 1 30 271.167 4 ↓

Analogs

43608237
43608237

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Popular Name: N-[(S)-(3,5-dichlorophenyl)-(2-furyl)methyl]ethanamine N-[(S)-(3,5-dichlorophenyl)-(2-f…

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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) 4.19 7.96 -39.19 2 2 1 30 271.167 4 ↓

Analogs

43608248
43608248

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Popular Name: N-[(S)-(2-bromophenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2-bromophenyl)-(2-furyl)…

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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 7.49 -34.37 2 2 1 30 281.173 4 ↓

Analogs

43608244
43608244

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Popular Name: N-[(R)-(2-bromophenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2-bromophenyl)-(2-furyl)…

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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 7.46 -34.87 2 2 1 30 281.173 4 ↓

Analogs

43608290
43608290

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Popular Name: N-[(S)-(2,3-dimethylphenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2,3-dimethylphenyl)-(2-f…

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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) 3.71 8 -35.07 2 2 1 30 230.331 4 ↓

Analogs

43608288
43608288

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Popular Name: N-[(R)-(2,3-dimethylphenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2,3-dimethylphenyl)-(2-f…

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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) 3.71 8.11 -35.46 2 2 1 30 230.331 4 ↓

Analogs

43608294
43608294
43608135
43608135
43608137
43608137

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Popular Name: N-[(S)-2-furyl(m-tolyl)methyl]ethanamine N-[(S)-2-furyl(m-tolyl)methyl]et…

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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 7.72 -35.16 2 2 1 30 216.304 4 ↓

Analogs

43608135
43608135
43608137
43608137
43608292
43608292

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Popular Name: N-[(R)-2-furyl(m-tolyl)methyl]ethanamine N-[(R)-2-furyl(m-tolyl)methyl]et…

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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 7.73 -35.16 2 2 1 30 216.304 4 ↓

Analogs

43608309
43608309

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Popular Name: N-[(S)-2-furyl-(4-methylsulfonylphenyl)methyl]ethanamine N-[(S)-2-furyl-(4-methylsulfonyl…

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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) 1.78 4.6 -46.9 2 4 1 64 280.369 5 ↓
Hi High (pH 8-9.5) 1.78 3.46 -12.05 1 4 0 59 279.361 5 ↓

Analogs

43608306
43608306

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Popular Name: N-[(R)-2-furyl-(4-methylsulfonylphenyl)methyl]ethanamine N-[(R)-2-furyl-(4-methylsulfonyl…

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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) 1.78 4.62 -49.22 2 4 1 64 280.369 5 ↓
Hi High (pH 8-9.5) 1.78 3.52 -12.22 1 4 0 59 279.361 5 ↓

Analogs

43608313
43608313

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Popular Name: N-[(S)-2-furyl-(2-methoxyphenyl)methyl]ethanamine N-[(S)-2-furyl-(2-methoxyphenyl)…

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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 6.49 -33.72 2 3 1 39 232.303 5 ↓

Analogs

43608311
43608311

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Popular Name: N-[(R)-2-furyl-(2-methoxyphenyl)methyl]ethanamine N-[(R)-2-furyl-(2-methoxyphenyl)…

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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 6.5 -34.07 2 3 1 39 232.303 5 ↓

Analogs

43608317
43608317

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Popular Name: N-[(R)-(3,5-dimethoxyphenyl)-(2-furyl)methyl]ethanamine N-[(R)-(3,5-dimethoxyphenyl)-(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) 2.95 5.67 -36.69 2 4 1 48 262.329 6 ↓

Analogs

43608315
43608315

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Popular Name: N-[(S)-(3,5-dimethoxyphenyl)-(2-furyl)methyl]ethanamine N-[(S)-(3,5-dimethoxyphenyl)-(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) 2.95 5.53 -36.43 2 4 1 48 262.329 6 ↓

Analogs

43608322
43608322

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Popular Name: N-[(S)-(3-fluorophenyl)-(2-furyl)methyl]ethanamine N-[(S)-(3-fluorophenyl)-(2-furyl…

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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 7.12 -38.95 2 2 1 30 220.267 4 ↓

Analogs

43608320
43608320

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Popular Name: N-[(R)-(3-fluorophenyl)-(2-furyl)methyl]ethanamine N-[(R)-(3-fluorophenyl)-(2-furyl…

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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 7.13 -38.96 2 2 1 30 220.267 4 ↓

Analogs

43608327
43608327

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Popular Name: N-[(S)-(3-fluoro-4-methyl-phenyl)-(2-furyl)methyl]ethanamine N-[(S)-(3-fluoro-4-methyl-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) 3.45 7.77 -39.02 2 2 1 30 234.294 4 ↓

Analogs

43608324
43608324

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Popular Name: N-[(R)-(3-fluoro-4-methyl-phenyl)-(2-furyl)methyl]ethanamine N-[(R)-(3-fluoro-4-methyl-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) 3.45 7.78 -39.04 2 2 1 30 234.294 4 ↓

Analogs

43608343
43608343

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Popular Name: N-[(S)-(2-fluorophenyl)-(2-furyl)methyl]ethanamine N-[(S)-(2-fluorophenyl)-(2-furyl…

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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) 3.02 7.17 -35.74 2 2 1 30 220.267 4 ↓
Hi High (pH 8-9.5) 3.02 6.03 -5.34 1 2 0 25 219.259 4 ↓

Analogs

43608340
43608340

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Popular Name: N-[(R)-(2-fluorophenyl)-(2-furyl)methyl]ethanamine N-[(R)-(2-fluorophenyl)-(2-furyl…

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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) 3.02 7.2 -36.14 2 2 1 30 220.267 4 ↓
Hi High (pH 8-9.5) 3.02 6.24 -4.62 1 2 0 25 219.259 4 ↓

Analogs

43608354
43608354

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Popular Name: N-[(S)-2-furyl-(3-methoxyphenyl)methyl]ethanamine N-[(S)-2-furyl-(3-methoxyphenyl)…

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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) 2.94 6.35 -36.56 2 3 1 39 232.303 5 ↓

Analogs

43608351
43608351

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Popular Name: N-[(R)-2-furyl-(3-methoxyphenyl)methyl]ethanamine N-[(R)-2-furyl-(3-methoxyphenyl)…

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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) 2.94 6.36 -36.64 2 3 1 39 232.303 5 ↓

Analogs

43608365
43608365

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Popular Name: N-[(R)-(5-bromo-2-chloro-phenyl)-(2-furyl)methyl]propan-1-amine N-[(R)-(5-bromo-2-chloro-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) 4.83 8.8 -35.26 2 2 1 30 329.645 5 ↓
Hi High (pH 8-9.5) 4.83 7.85 -3.01 1 2 0 25 328.637 5 ↓

Analogs

43608362
43608362

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Popular Name: N-[(S)-(5-bromo-2-chloro-phenyl)-(2-furyl)methyl]propan-1-amine N-[(S)-(5-bromo-2-chloro-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) 4.83 8.85 -34.94 2 2 1 30 329.645 5 ↓

Analogs

43619044
43619044

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Popular Name: N-[(R)-(4-bromo-2-chloro-phenyl)-(2-furyl)methyl]propan-1-amine N-[(R)-(4-bromo-2-chloro-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) 4.83 8.79 -38.98 2 2 1 30 329.645 5 ↓
Hi High (pH 8-9.5) 4.83 7.84 -2.93 1 2 0 25 328.637 5 ↓

Analogs

43608474
43608474

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Popular Name: N-[(S)-(4-chloro-2-methoxy-phenyl)-(2-furyl)methyl]propan-1-amine N-[(S)-(4-chloro-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) 4.07 7.76 -37.54 2 3 1 39 280.775 6 ↓

Analogs

43608471
43608471

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-chloro-2-methoxy-phenyl)-(2-furyl)methyl]propan-1-amine N-[(R)-(4-chloro-2-methoxy-pheny…

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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) 4.07 7.77 -37.9 2 3 1 39 280.775 6 ↓

Analogs

43608480
43608480

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Popular Name: N-[(S)-[4-fluoro-3-(trifluoromethyl)phenyl]-(2-furyl)methyl]propan-1-amine N-[(S)-[4-fluoro-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) 4.40 8.86 -46.64 2 2 1 30 302.291 6 ↓
Hi High (pH 8-9.5) 4.40 7.72 -5.25 1 2 0 25 301.283 6 ↓

Analogs

43608477
43608477

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-(2-furyl)methyl]propan-1-amine N-[(R)-[4-fluoro-3-(trifluoromet…

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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) 4.40 8.87 -46.69 2 2 1 30 302.291 6 ↓

Analogs

43608488
43608488

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-bromo-3-fluoro-phenyl)-(2-furyl)methyl]propan-1-amine N-[(S)-(4-bromo-3-fluoro-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) 4.31 8.47 -43.83 2 2 1 30 313.19 5 ↓

Analogs

43608484
43608484

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-bromo-3-fluoro-phenyl)-(2-furyl)methyl]propan-1-amine N-[(R)-(4-bromo-3-fluoro-phenyl)…

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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) 4.31 8.48 -43.9 2 2 1 30 313.19 5 ↓

Analogs

43608509
43608509

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-chloro-4-fluoro-phenyl)-(2-furyl)methyl]propan-1-amine N-[(S)-(2-chloro-4-fluoro-phenyl…

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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) 4.18 8.29 -39.18 2 2 1 30 268.739 5 ↓

Analogs

43608506
43608506

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-chloro-4-fluoro-phenyl)-(2-furyl)methyl]propan-1-amine N-[(R)-(2-chloro-4-fluoro-phenyl…

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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) 4.18 8.24 -39.76 2 2 1 30 268.739 5 ↓

Analogs

43608524
43608524

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Popular Name: N-[(R)-(2,6-difluorophenyl)-(2-furyl)methyl]propan-1-amine N-[(R)-(2,6-difluorophenyl)-(2-f…

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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) 3.64 7.92 -29.82 2 2 1 30 252.284 5 ↓

Analogs

43608522
43608522

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2,6-difluorophenyl)-(2-furyl)methyl]propan-1-amine N-[(S)-(2,6-difluorophenyl)-(2-f…

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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) 3.64 7.92 -29.93 2 2 1 30 252.284 5 ↓

Analogs

43608529
43608529

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(3,5-difluorophenyl)-(2-furyl)methyl]propan-1-amine N-[(R)-(3,5-difluorophenyl)-(2-f…

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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 7.95 -41.78 2 2 1 30 252.284 5 ↓

Parameters Provided:

ring.id = 1127
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 = 1127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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