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Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 0.41 1.79 -9.64 4 5 0 88 274.32 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 0.41 1.71 -9.72 4 5 0 88 274.32 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-methyl-furan-3-carboxamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 0.19 0.99 -9.84 4 5 0 88 260.293 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-methyl-furan-3-carboxamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 0.19 0.9 -9.92 4 5 0 88 260.293 4 ↓

Analogs

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Popular Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-furan-3-carboxamide N-[2-(2,5-dimethoxyphenyl)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) 2.14 4.83 -11.5 1 5 0 61 289.331 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(2-chlorophenyl)-2-diethylamino-ethyl]furan-3-carboxamide N-[(2R)-2-(2-chlorophenyl)-2-die…

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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) 3.07 8.55 -48.6 2 4 1 47 321.828 7 ↓
Hi High (pH 8-9.5) 3.07 7.01 -12.35 1 4 0 45 320.82 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(2-chlorophenyl)-2-diethylamino-ethyl]furan-3-carboxamide N-[(2S)-2-(2-chlorophenyl)-2-die…

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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) 3.07 8.73 -45.66 2 4 1 47 321.828 7 ↓
Hi High (pH 8-9.5) 3.07 7.12 -11.47 1 4 0 45 320.82 7 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]furan-3-carboxamide N-[(2R)-2-dimethylamino-2-(3-flu…

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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) 1.83 7.04 -54.81 2 4 1 47 277.319 5 ↓
Hi High (pH 8-9.5) 1.83 4.8 -13.2 1 4 0 45 276.311 5 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]furan-3-carboxamide N-[(2S)-2-dimethylamino-2-(3-flu…

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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) 1.83 6.45 -57 2 4 1 47 277.319 5 ↓
Hi High (pH 8-9.5) 1.83 4.11 -14.03 1 4 0 45 276.311 5 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2R)-2-hydroxy-2-[2-(trifluor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 4.58 -10.36 2 4 0 62 327.302 5 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2S)-2-hydroxy-2-[2-(trifluor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 4.53 -10.46 2 4 0 62 327.302 5 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-furan-3-carboxamide N-[(2R)-2-hydroxy-2-[2-(trifluor…

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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) 1.96 3.78 -10.49 2 4 0 62 313.275 5 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-furan-3-carboxamide N-[(2S)-2-hydroxy-2-[2-(trifluor…

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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) 1.96 3.72 -10.6 2 4 0 62 313.275 5 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2R)-2-amino-2-phenyl-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) -0.37 4.61 -54.21 4 4 1 70 259.329 4 ↓
Mid Mid (pH 6-8) -0.37 4.25 -8.96 3 4 0 68 258.321 4 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2S)-2-amino-2-phenyl-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) -0.37 4.61 -54.19 4 4 1 70 259.329 4 ↓
Mid Mid (pH 6-8) -0.37 4.16 -8.07 3 4 0 68 258.321 4 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]furan-3-carboxamide N-[(2S)-2-amino-2-phenyl-ethyl]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) -0.81 2.98 -59.29 4 4 1 70 231.275 4 ↓
Mid Mid (pH 6-8) -0.81 2.62 -12.38 3 4 0 68 230.267 4 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]furan-3-carboxamide N-[(2R)-2-amino-2-phenyl-ethyl]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) -0.81 2.98 -59.27 4 4 1 70 231.275 4 ↓
Mid Mid (pH 6-8) -0.81 2.53 -11.01 3 4 0 68 230.267 4 ↓

Analogs

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Popular Name: N-[2-(2,6-difluorophenyl)ethyl]-2,5-dimethyl-furan-3-carboxamide N-[2-(2,6-difluorophenyl)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) 2.56 7.05 -9.83 1 3 0 42 279.286 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-fluorophenyl)-1-methyl-ethyl]furan-3-carboxamide N-[(1S)-2-(2-fluorophenyl)-1-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) 2.33 6.34 -15.38 1 3 0 42 247.269 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-fluorophenyl)-1-methyl-ethyl]furan-3-carboxamide N-[(1R)-2-(2-fluorophenyl)-1-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) 2.33 6.54 -10.48 1 3 0 42 247.269 4 ↓

Analogs

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Popular Name: 2-methyl-N-[2-(4-nitrophenyl)ethyl]furan-3-carboxamide 2-methyl-N-[2-(4-nitrophenyl)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) 2.06 6.92 -14.6 1 6 0 88 274.276 5 ↓

Analogs

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Popular Name: N-[2-[2-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide N-[2-[2-(trifluoromethyl)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) 2.73 6.01 -13.49 1 3 0 42 283.249 5 ↓

Analogs

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Popular Name: N-[2-(2,6-dichlorophenyl)ethyl]-2-methyl-furan-3-carboxamide N-[2-(2,6-dichlorophenyl)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) 3.36 7.05 -9.08 1 3 0 42 298.169 4 ↓

Analogs

4915913
4915913

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Popular Name: N-[2-(4-hydroxyphenyl)ethyl]-2,4,5-trimethyl-furan-3-carboxamide N-[2-(4-hydroxyphenyl)ethyl]-2,4…

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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) 2.22 4.7 -12.02 2 4 0 62 273.332 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dichlorophenyl)ethyl]furan-3-carboxamide N-[2-(3,5-dichlorophenyl)ethyl]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) 3.17 6.38 -12.92 1 3 0 42 284.142 4 ↓

Analogs

31320592
31320592
31320595
31320595

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Popular Name: N-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]furan-3-carboxamide N-[(2S)-2-(3-fluorophenyl)-2-hyd…

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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) 1.03 2.28 -13.19 2 4 0 62 249.241 4 ↓

Analogs

31320592
31320592
31320595
31320595

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Popular Name: N-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]furan-3-carboxamide N-[(2R)-2-(3-fluorophenyl)-2-hyd…

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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) 1.03 2.35 -13.02 2 4 0 62 249.241 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]-2-methyl-furan-3-carboxamide N-[(2R)-2-(3-fluorophenyl)-2-hyd…

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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) 1.25 3.18 -10.25 2 4 0 62 263.268 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]-2-methyl-furan-3-carboxamide N-[(2S)-2-(3-fluorophenyl)-2-hyd…

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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) 1.25 3.1 -10.28 2 4 0 62 263.268 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dichlorophenyl)ethyl]-2-methyl-furan-3-carboxamide N-[2-(3,5-dichlorophenyl)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) 3.39 7.21 -9.57 1 3 0 42 298.169 4 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-(o-tolyl)ethyl]furan-3-carboxamide N-[(1R)-1-methyl-2-(o-tolyl)ethy…

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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) 2.61 6.72 -12.79 1 3 0 42 243.306 4 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-(o-tolyl)ethyl]furan-3-carboxamide N-[(1S)-1-methyl-2-(o-tolyl)ethy…

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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) 2.61 6.75 -12.65 1 3 0 42 243.306 4 ↓

Analogs

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Popular Name: N-[2-(2,5-dimethoxyphenyl)ethyl]furan-3-carboxamide N-[2-(2,5-dimethoxyphenyl)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) 1.92 4 -14.53 1 5 0 61 275.304 6 ↓

Analogs

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Popular Name: N-[2-(3-bromo-4-fluoro-phenyl)ethyl]furan-3-carboxamide N-[2-(3-bromo-4-fluoro-phenyl)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) 2.78 6.03 -14.81 1 3 0 42 312.138 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]furan-3-carboxamide N-[(2S)-2-(dimethylamino)-2-(p-t…

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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) 2.14 7.15 -44.82 2 4 1 47 273.356 5 ↓
Hi High (pH 8-9.5) 2.14 4.88 -10.03 1 4 0 45 272.348 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(p-tolyl)ethyl]furan-3-carboxamide N-[(2R)-2-(dimethylamino)-2-(p-t…

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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) 2.14 7.17 -45.51 2 4 1 47 273.356 5 ↓
Hi High (pH 8-9.5) 2.14 4.6 -10.5 1 4 0 45 272.348 5 ↓

Analogs

25409447
25409447
25409443
25409443

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Popular Name: N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2R)-2-(dimethylamino)-2-phen…

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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) 2.13 8.11 -41.56 2 4 1 47 287.383 5 ↓
Hi High (pH 8-9.5) 2.13 5.58 -7.64 1 4 0 45 286.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2S)-2-(dimethylamino)-2-phen…

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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) 2.13 8.12 -42.28 2 4 1 47 287.383 5 ↓
Hi High (pH 8-9.5) 2.13 6.06 -8.22 1 4 0 45 286.375 5 ↓

Analogs

25409447
25409447
25409443
25409443

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2S)-2-(dimethylamino)-2-(p-t…

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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) 2.58 8.78 -41.76 2 4 1 47 301.41 5 ↓
Hi High (pH 8-9.5) 2.58 6.55 -7.13 1 4 0 45 300.402 5 ↓

Analogs

25409447
25409447
25409443
25409443

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-2-(p-tolyl)ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2R)-2-(dimethylamino)-2-(p-t…

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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) 2.58 8.79 -42.47 2 4 1 47 301.41 5 ↓
Hi High (pH 8-9.5) 2.58 6.76 -8.22 1 4 0 45 300.402 5 ↓

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]furan-3-carboxamide N-[2-(2-chlorophenyl)ethyl]furan…

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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) 2.51 5.78 -12.7 1 3 0 42 249.697 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-chlorophenyl)ethyl]-2-methyl-furan-3-carboxamide N-[2-(2-chlorophenyl)ethyl]-2-me…

Find On: PubMed — Wikipedia — Google

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) 2.73 6.62 -9.61 1 3 0 42 263.724 4 ↓

Parameters Provided:

ring.id = 15704
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 = 15704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=15704&filter.purchasability=annotated

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