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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Draw Identity 99% 90% 80% 70%


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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) 2.90 -1.76 -8.9 1 3 0 32 269.142 1 ↓

    Analogs

    44237013
    44237013

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxyphenyl)pyrrolidine-1-carboxamide N-(2-methoxyphenyl)pyrrolidine-1…

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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) 2.10 4.79 -9.59 1 4 0 42 220.272 2 ↓

    Analogs

    40070052
    40070052

    Draw Identity 99% 90% 80% 70%


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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 6.69 -9.74 1 3 0 32 218.3 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide N-[2-(dimethylcarbamoyl)phenyl]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) 1.01 5.58 -13 1 5 0 53 261.325 2 ↓

    Analogs

    48488559
    48488559
    48501335
    48501335
    57807334
    57807334
    40527024
    40527024

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    Popular Name: N-[2-chloro-5-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide N-[2-chloro-5-(dimethylcarbamoyl…

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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) 1.67 5.87 -18.03 1 5 0 53 295.77 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N1-(4-fluorophenyl)-N2-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-1,2-dicarboxamide (2S)-N1-(4-fluorophenyl)-N2-[2-o…

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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) 1.12 3.58 -17.95 3 7 0 91 346.362 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N1-(4-fluorophenyl)-N2-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrrolidine-1,2-dicarboxamide (2R)-N1-(4-fluorophenyl)-N2-[2-o…

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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) 1.12 3.55 -17.7 3 7 0 91 346.362 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromo-4-fluoro-phenyl)pyrrolidine-1-carboxamide N-(2-bromo-4-fluoro-phenyl)pyrro…

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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) 2.99 6.2 -6.21 1 3 0 32 287.132 1 ↓

    Analogs

    37010026
    37010026
    37010027
    37010027
    37010028
    37010028
    37010029
    37010029

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4R)-4-methoxy-1-(m-tolylcarbamoyl)pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-(m-tolylcarb…

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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) 0.00 4.86 -62.03 1 6 -1 82 277.3 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4S)-4-methoxy-1-(m-tolylcarbamoyl)pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-(m-tolylcarb…

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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) 0.00 4.91 -64.66 1 6 -1 82 277.3 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4R)-4-methoxy-1-(m-tolylcarbamoyl)pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-(m-tolylcarb…

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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) 0.00 4.87 -67.96 1 6 -1 82 277.3 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4S)-4-methoxy-1-(m-tolylcarbamoyl)pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-(m-tolylcarb…

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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) 0.00 4.89 -62.7 1 6 -1 82 277.3 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4R)-1-[(4-fluorophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-[(4-fluorophenyl)carba…

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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) -0.27 4.23 -64.05 1 6 -1 82 281.263 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4S)-1-[(4-fluorophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-[(4-fluorophenyl)carba…

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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) -0.27 4.31 -62.67 1 6 -1 82 281.263 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4R)-1-[(4-fluorophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-[(4-fluorophenyl)carba…

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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) -0.27 4.29 -62.64 1 6 -1 82 281.263 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4S)-1-[(4-fluorophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-[(4-fluorophenyl)carba…

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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) -0.27 4.27 -60.29 1 6 -1 82 281.263 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4R)-4-hydroxy-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[(3-nitrophe…

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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) -1.11 2.48 -63.05 2 9 -1 139 294.243 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4S)-4-hydroxy-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[(3-nitrophe…

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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) -1.11 2.48 -74.06 2 9 -1 139 294.243 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4R)-4-hydroxy-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[(3-nitrophe…

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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) -1.11 2.48 -74.07 2 9 -1 139 294.243 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4S)-4-hydroxy-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[(3-nitrophe…

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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) -1.11 2.46 -76.65 2 9 -1 139 294.243 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-4-methoxy-phenyl)pyrrolidine-1-carboxamide N-(2-chloro-4-methoxy-phenyl)pyr…

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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) 2.76 5.28 -7.66 1 4 0 42 254.717 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromo-4,5-diethoxy-phenyl)pyrrolidine-1-carboxamide N-(2-bromo-4,5-diethoxy-phenyl)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) 3.23 7.15 -9.26 1 5 0 51 357.248 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2,2-dimethylpropyl)-N-[4-(ethylsulfonylamino)-3-methoxy-phenyl]pyrrolidine-1-carboxamide (2R)-2-(2,2-dimethylpropyl)-N-[4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.65 5.28 -58.34 1 7 -1 90 396.533 7 ↓
    Mid Mid (pH 6-8) 3.65 5.19 -17.07 2 7 0 88 397.541 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2,2-dimethylpropyl)-N-[4-(ethylsulfonylamino)-3-methoxy-phenyl]pyrrolidine-1-carboxamide (2S)-2-(2,2-dimethylpropyl)-N-[4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.65 5.32 -57.93 1 7 -1 90 396.533 7 ↓
    Mid Mid (pH 6-8) 3.65 5.24 -16.78 2 7 0 88 397.541 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2S)-N-[3-(dimethylcarbamoyl)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) 3.00 8.14 -13.19 1 5 0 53 331.46 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[3-(dimethylcarbamoyl)phenyl]-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2R)-N-[3-(dimethylcarbamoyl)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) 3.00 8.07 -13.32 1 5 0 53 331.46 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2,2-dimethylpropyl)-N-[4-(dimethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (2S)-2-(2,2-dimethylpropyl)-N-[4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.37 6.27 -15.68 1 6 0 70 367.515 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2,2-dimethylpropyl)-N-[4-(dimethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (2R)-2-(2,2-dimethylpropyl)-N-[4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.37 6.23 -15.73 1 6 0 70 367.515 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(4-carbamoylphenyl)-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2S)-N-(4-carbamoylphenyl)-2-(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) 2.87 5.07 -17.27 3 5 0 75 303.406 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(4-carbamoylphenyl)-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2R)-N-(4-carbamoylphenyl)-2-(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) 2.87 5.03 -17.31 3 5 0 75 303.406 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2S)-N-[4-(2-amino-2-oxo-ethyl)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) 2.96 5.75 -16.42 3 5 0 75 317.433 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[4-(2-amino-2-oxo-ethyl)phenyl]-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2R)-N-[4-(2-amino-2-oxo-ethyl)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) 2.96 5.71 -16.54 3 5 0 75 317.433 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2,2-dimethylpropyl)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide (2S)-2-(2,2-dimethylpropyl)-N-(2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.17 8.4 -7.71 1 3 0 32 278.371 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2,2-dimethylpropyl)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide (2R)-2-(2,2-dimethylpropyl)-N-(2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.17 8.35 -8 1 3 0 32 278.371 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2,2-dimethylpropyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (2S)-2-(2,2-dimethylpropyl)-N-(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) 4.09 7.57 -9.87 1 4 0 42 290.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2,2-dimethylpropyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (2R)-2-(2,2-dimethylpropyl)-N-(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) 4.09 7.52 -9.85 1 4 0 42 290.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(4-acetylphenyl)-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2R)-N-(4-acetylphenyl)-2-(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) 3.95 8.75 -16.14 1 4 0 49 302.418 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(4-acetylphenyl)-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide (2S)-N-(4-acetylphenyl)-2-(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) 3.95 8.8 -15.86 1 4 0 49 302.418 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2,2-dimethylpropyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide (2S)-2-(2,2-dimethylpropyl)-N-(2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.06 7.71 -9.3 1 4 0 42 290.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2,2-dimethylpropyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide (2R)-2-(2,2-dimethylpropyl)-N-(2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.06 7.67 -9.6 1 4 0 42 290.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-N-(3-methoxyphenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide (3R)-N-(3-methoxyphenyl)-3-(prop…

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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) 1.88 2.34 -25.02 2 7 0 88 341.433 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-N-(3-methoxyphenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide (3S)-N-(3-methoxyphenyl)-3-(prop…

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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) 1.88 2.46 -19.5 2 7 0 88 341.433 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(3-isobutoxypropanoylamino)phenyl]pyrrolidine-1-carboxamide N-[2-(3-isobutoxypropanoylamino)…

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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) 2.60 6.96 -12.4 2 6 0 71 333.432 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(4-fluorophenyl)-N'-isobutyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-N'-isobu…

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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) 2.47 -1.39 -16.63 2 5 0 61 307.369 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(4-fluorophenyl)-N'-isobutyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-N'-isobu…

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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) 2.47 -1.25 -17.49 2 5 0 61 307.369 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(4-fluorophenyl)-N'-isopropyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-N'-isopr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.02 -1.47 -16.88 2 5 0 61 293.342 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(4-fluorophenyl)-N'-isopropyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-N'-isopr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.02 -1.5 -16.61 2 5 0 61 293.342 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N'-isobutyl-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-isobutyl-N-(4-methoxyphe…

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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) 2.37 -2.15 -17.98 2 6 0 70 319.405 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N'-isobutyl-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-isobutyl-N-(4-methoxyphe…

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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) 2.37 -1.98 -18.56 2 6 0 70 319.405 5 ↓

    Analogs

    4892525
    4892525
    4892535
    4892535
    4967908
    4967908
    4967910
    4967910
    34952622
    34952622

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N'-isopropyl-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-isopropyl-N-(4-methoxyph…

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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) 1.92 -2.23 -18.3 2 6 0 70 305.378 4 ↓

    Parameters Provided:

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filter.purchasability = annotated
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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Permalink

    //zinc12.docking.org/results/combination?ring.id=3867&filter.purchasability=annotated

    Embed Link to Results

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