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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Popular Name:

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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) 2.31 1.19 -9.25 1 4 0 51 259.305 4 ↓

    Analogs

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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) 2.31 1.2 -9.25 1 4 0 51 259.305 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide 2-methyl-N-[1-(4-methylsulfonylp…

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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) 1.13 -2.46 -16.22 1 5 0 76 307.371 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide 2-methyl-N-[1-(4-methylsulfonylp…

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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) 1.13 -2.46 -16.16 1 5 0 76 307.371 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide N-[1-(4-methylsulfonylphenyl)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) 0.90 -2.52 -19.03 1 5 0 76 293.344 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide N-[1-(4-methylsulfonylphenyl)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) 0.90 -2.51 -19.13 1 5 0 76 293.344 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]furan-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(4-am…

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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) -0.94 1.46 -16.94 4 6 0 103 273.292 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]-2-methyl-furan-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(4-am…

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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) -0.72 2.35 -16.72 4 6 0 103 287.319 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]furan-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(3-am…

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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) -0.97 1.45 -16.9 4 6 0 103 273.292 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]-2-methyl-furan-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(3-am…

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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) -0.74 2.34 -16.72 4 6 0 103 287.319 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]furan-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(2-am…

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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) -0.58 1.91 -15.72 4 6 0 103 273.292 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]-2-methyl-furan-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-[(2-am…

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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) -0.36 3.01 -15.78 4 6 0 103 287.319 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(4-fluorophenyl)-2,2-dimethyl-propyl]furan-3-carboxamide N-[(1S)-1-(4-fluorophenyl)-2,2-d…

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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) 3.53 7.15 -10.23 1 3 0 42 275.323 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(4-fluorophenyl)-2,2-dimethyl-propyl]furan-3-carboxamide N-[(1R)-1-(4-fluorophenyl)-2,2-d…

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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) 3.53 7.15 -10.21 1 3 0 42 275.323 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-dimethylaminophenyl)methyl]-N-ethyl-2-methyl-furan-3-carboxamide N-[(4-dimethylaminophenyl)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) 1.95 8.68 -10.25 0 4 0 37 286.375 5 ↓
    Lo Low (pH 4.5-6) 1.95 9.44 -25.05 1 4 0 38 287.383 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(2,5-dimethylfuran-3-car…

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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) 1.79 8.1 -58.18 1 5 -1 82 286.307 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(2,5-dimethylfuran-3-car…

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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) 1.79 8.1 -58.37 1 5 -1 82 286.307 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[(2-methylfuran-3-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(2-methylfuran-3-carbony…

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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) 1.57 7.32 -58.37 1 5 -1 82 272.28 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[(2-methylfuran-3-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(2-methylfuran-3-carbony…

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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) 1.57 7.32 -58.39 1 5 -1 82 272.28 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(furan-3-carbonylamino)-2-phenyl-propanoic (2R)-2-(furan-3-carbonylamino)-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) 1.35 6.54 -61.44 1 5 -1 82 258.253 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(furan-3-carbonylamino)-2-phenyl-propanoic (2S)-2-(furan-3-carbonylamino)-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) 1.35 6.54 -61.41 1 5 -1 82 258.253 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2,5-dimethyl-furan-3-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.90 5.04 -53.18 4 4 1 70 273.356 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2-methyl-furan-3-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.68 4.24 -53.2 4 4 1 70 259.329 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]furan-3-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.46 3.42 -55.26 4 4 1 70 245.302 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-aminophenyl)methyl]-2-methyl-furan-3-carboxamide N-[(3-aminophenyl)methyl]-2-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) 0.75 3.29 -8.04 3 4 0 68 230.267 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-aminophenyl)methyl]furan-3-carboxamide N-[(3-aminophenyl)methyl]furan-3…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.53 2.47 -10.57 3 4 0 68 216.24 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-aminophenyl)methyl]-2,5-dimethyl-furan-3-carboxamide N-[(3-aminophenyl)methyl]-2,5-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) 0.97 4.09 -7.88 3 4 0 68 244.294 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methyl-furan-3-carboxamide N-[(1S)-1-[3-(methanesulfonamido…

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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) 1.47 3.03 -45.37 1 6 -1 90 321.378 5 ↓
    Lo Low (pH 4.5-6) 1.47 2.99 -14.97 2 6 0 88 322.386 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methyl-furan-3-carboxamide N-[(1R)-1-[3-(methanesulfonamido…

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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) 1.47 3.03 -45.39 1 6 -1 90 321.378 5 ↓
    Lo Low (pH 4.5-6) 1.47 3 -15.25 2 6 0 88 322.386 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,4,5-trimethyl-furan-3-carboxamide N-[(1S)-1-[3-(methanesulfonamido…

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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 4.39 -46.53 1 6 -1 90 349.432 5 ↓
    Lo Low (pH 4.5-6) 2.06 4.36 -15.93 2 6 0 88 350.44 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,4,5-trimethyl-furan-3-carboxamide N-[(1R)-1-[3-(methanesulfonamido…

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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 4.38 -45.78 1 6 -1 90 349.432 5 ↓
    Lo Low (pH 4.5-6) 2.06 4.35 -16.1 2 6 0 88 350.44 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]furan-3-carboxamide N-[(3-methoxy-4-methyl-phenyl)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) 1.91 4.64 -10.97 1 4 0 51 245.278 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 1.91 -2.09 -10.33 3 6 0 95 302.33 6 ↓

    Analogs

    36737535
    36737535

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    Popular Name: N-[(4-dimethylaminophenyl)methyl]-2-methyl-furan-3-carboxamide N-[(4-dimethylaminophenyl)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) 1.80 5.83 -8.32 1 4 0 45 258.321 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.40 7.22 -9.53 1 4 0 45 286.375 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-dimethylaminophenyl)methyl]furan-3-carboxamide N-[(4-dimethylaminophenyl)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) 1.58 5.01 -10.85 1 4 0 45 244.294 4 ↓
    Lo Low (pH 4.5-6) 1.58 5.77 -25.91 2 4 0 47 245.302 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 1.48 8.11 -13 1 5 0 69 321.76 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 1.48 7.99 -13.2 1 5 0 69 321.76 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-[[isopropyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-furan-3-carboxamide N-[[4-[[isopropyl(methyl)amino]m…

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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) 2.17 8.52 -41.73 2 4 1 47 301.41 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]-2-methyl-furan-3-carboxamide N-[(1S)-2-amino-2-oxo-1-phenyl-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) 0.61 2.49 -13.65 3 5 0 85 258.277 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-2-methyl-furan-3-carboxamide N-[(1R)-2-amino-2-oxo-1-phenyl-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) 0.61 2.49 -13.65 3 5 0 85 258.277 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[3-(2-dimethylaminoethyloxy)phenyl]methyl]furan-3-carboxamide N-[[3-(2-dimethylaminoethyloxy)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) 1.54 6.28 -45.05 2 5 1 56 289.355 7 ↓
    Hi High (pH 8-9.5) 1.54 3.76 -11.8 1 5 0 55 288.347 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-furan-3-carboxamide N-[[2-(dimethylsulfamoyl)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) 0.96 4.51 -17.66 1 6 0 80 322.386 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-N-[(5-bromo-2-fluoro-phenyl)methyl]furan-3-carboxamide N-allyl-N-[(5-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) 2.79 8.48 -11.41 0 3 0 33 338.176 5 ↓

    Analogs

    14230102
    14230102

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide 2,5-dimethyl-N-[(1R)-1-(4-methyl…

    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) 1.35 4.61 -15.94 1 5 0 76 321.398 4 ↓

    Analogs

    14230099
    14230099

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide 2,5-dimethyl-N-[(1S)-1-(4-methyl…

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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) 1.35 4.61 -16.01 1 5 0 76 321.398 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(1R)-1-(3,4-difluorophenyl)et…

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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) 2.73 7.19 -10.11 1 3 0 42 279.286 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(1S)-1-(3,4-difluorophenyl)et…

    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 7.19 -10.06 1 3 0 42 279.286 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,5-dimethyl-furan-3-carboxamide N-[[2-(dimethylsulfamoyl)phenyl]…

    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) 1.18 5.29 -17.71 1 6 0 80 336.413 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]furan-3-carboxamide N-[[2-(dimethylsulfamoyl)phenyl]…

    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) 0.74 3.73 -20.26 1 6 0 80 308.359 5 ↓

    Parameters Provided:

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filter.purchasability = annotated
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    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 = 3825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3825&filter.purchasability=annotated

    Embed Link to Results

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