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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    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) 2.30 7.22 -6.41 1 2 0 29 217.312 4 ↓

    Analogs

    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) 2.30 7.23 -6.39 1 2 0 29 217.312 4 ↓

    Analogs

    44825932
    44825932
    44825933
    44825933
    44825934
    44825934
    44825935
    44825935
    44825940
    44825940

    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) 3.76 7.86 -6.85 1 2 0 29 231.339 4 ↓

    Analogs

    44825932
    44825932
    44825933
    44825933
    44825934
    44825934
    44825935
    44825935
    44825940
    44825940

    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) 3.76 7.86 -6.92 1 2 0 29 231.339 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(2-amino-2-oxo-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) 0.35 3.11 -15.68 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(2-amino-2-oxo-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) 0.35 3.07 -16.73 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(2-amino-2-oxo-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) 0.35 3.11 -16.81 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N-(2-amino-2-oxo-ethyl)-N-[(4-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(2-amino-2-oxo-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) 0.35 3.16 -15.83 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(2-amino-2-oxo-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) 0.33 3.1 -15.54 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(2-amino-2-oxo-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) 0.33 3.06 -16.67 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(2-amino-2-oxo-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) 0.33 3.1 -16.77 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N-(2-amino-2-oxo-ethyl)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(2-amino-2-oxo-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) 0.33 3.15 -15.78 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(2-amino-2-oxo-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) 0.71 3.77 -15.35 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(2-amino-2-oxo-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) 0.71 3.73 -16.26 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(2-amino-2-oxo-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) 0.71 3.71 -16.22 4 5 0 89 261.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N-(2-amino-2-oxo-ethyl)-N-[(2-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(2-amino-2-oxo-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) 0.71 3.74 -15.39 4 5 0 89 261.325 5 ↓

    Analogs

    37004075
    37004075
    37004076
    37004076
    37004077
    37004077
    37004078
    37004078
    37004079
    37004079

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(4-fluorophenyl)-2,2-dimethyl-propyl]cyclopropanecarboxamide 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) 3.74 7.64 -6.66 1 2 0 29 249.329 4 ↓

    Analogs

    37046421
    37046421
    37046420
    37046420
    37004075
    37004075
    37004076
    37004076
    37004077
    37004077

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(4-fluorophenyl)-2,2-dimethyl-propyl]cyclopropanecarboxamide 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) 3.74 7.64 -6.6 1 2 0 29 249.329 4 ↓

    Analogs

    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) 0.93 4.36 -14.75 2 4 0 63 246.31 6 ↓

    Analogs

    32008233
    32008233

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-dimethylaminophenyl)methyl]-N-ethyl-cyclopropanecarboxamide 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) 2.41 8.49 -9.07 0 3 0 24 246.354 5 ↓
    Lo Low (pH 4.5-6) 2.41 9.25 -24.04 1 3 0 25 247.362 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(cyclopropanecarbonylamino)-2-phenyl-propanoic (2R)-2-(cyclopropanecarbonylamin…

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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) 1.56 7 -57.49 1 4 -1 69 232.259 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(cyclopropanecarbonylamino)-2-phenyl-propanoic (2S)-2-(cyclopropanecarbonylamin…

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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) 1.56 7 -57.84 1 4 -1 69 232.259 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(1S,2R)-2-methylcyclopr…

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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 7.6 -56.83 1 4 -1 69 246.286 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(1S,2S)-2-methylcyclopr…

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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 7.66 -57.84 1 4 -1 69 246.286 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(1R,2R)-2-methylcyclopr…

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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 7.67 -57.98 1 4 -1 69 246.286 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(1R,2S)-2-methylcyclopr…

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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 7.6 -57.17 1 4 -1 69 246.286 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]cyclopropanecarboxamide 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) 0.67 3.92 -51.47 4 3 1 57 219.308 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[[4-(2-aminoethyl)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) 1.28 4.63 -51.39 4 3 1 57 233.335 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[[4-(2-aminoethyl)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) 1.28 4.59 -52.23 4 3 1 57 233.335 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[[4-(2-aminoethyl)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) 1.28 4.59 -52.23 4 3 1 57 233.335 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[[4-(2-aminoethyl)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) 1.28 4.63 -51.39 4 3 1 57 233.335 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-aminophenyl)methyl]cyclopropanecarboxamide N-[(3-aminophenyl)methyl]cyclopr…

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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 2.96 -7.38 3 3 0 55 190.246 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[(3-aminophenyl)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) 1.35 3.68 -6.65 3 3 0 55 204.273 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(3-aminophenyl)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) 1.35 3.63 -7.26 3 3 0 55 204.273 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[(3-aminophenyl)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) 1.35 3.63 -7.2 3 3 0 55 204.273 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N-[(3-aminophenyl)methyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(3-aminophenyl)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) 1.35 3.68 -6.61 3 3 0 55 204.273 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-2-[(3-nitrophenyl)methylcarbamoyl]cyclopropanecarboxylic (1S,2R)-2-[(3-nitrophenyl)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) 1.10 6.34 -60.34 1 7 -1 115 263.229 5 ↓
    Lo Low (pH 4.5-6) 1.10 4.39 -17.92 2 7 0 112 264.237 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-2-[(3-nitrophenyl)methylcarbamoyl]cyclopropanecarboxylic (1S,2S)-2-[(3-nitrophenyl)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) 1.10 6.43 -50.65 1 7 -1 115 263.229 5 ↓
    Lo Low (pH 4.5-6) 1.10 4.43 -13.48 2 7 0 112 264.237 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-2-[(3-nitrophenyl)methylcarbamoyl]cyclopropanecarboxylic (1R,2R)-2-[(3-nitrophenyl)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) 1.10 6.43 -52.97 1 7 -1 115 263.229 5 ↓
    Lo Low (pH 4.5-6) 1.10 4.43 -14.52 2 7 0 112 264.237 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-2-[(3-nitrophenyl)methylcarbamoyl]cyclopropanecarboxylic (1R,2S)-2-[(3-nitrophenyl)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) 1.10 6.34 -49.81 1 7 -1 115 263.229 5 ↓
    Lo Low (pH 4.5-6) 1.10 4.4 -17.59 2 7 0 112 264.237 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-cyclopropanecarboxamide N-[(1S)-1-(4-fluorophenyl)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) 2.65 8.18 -8.01 0 2 0 20 221.275 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-cyclopropanecarboxamide N-[(1R)-1-(4-fluorophenyl)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) 2.65 7.41 -8.82 0 2 0 20 221.275 3 ↓

    Analogs

    37803025
    37803025
    37803026
    37803026
    37803027
    37803027
    37803028
    37803028
    37816046
    37816046

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-N,2-dimethyl-cyclopropanecarboxamide (1S,2R)-N-[(1S)-1-(4-fluoropheny…

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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) 3.26 8.14 -7.9 0 2 0 20 235.302 3 ↓

    Analogs

    37803025
    37803025
    37803026
    37803026
    37803027
    37803027
    37803028
    37803028
    37816046
    37816046

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-N,2-dimethyl-cyclopropanecarboxamide (1S,2S)-N-[(1S)-1-(4-fluoropheny…

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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) 3.26 8.1 -8.75 0 2 0 20 235.302 3 ↓

    Analogs

    37803025
    37803025
    37803026
    37803026
    37803027
    37803027
    37803028
    37803028
    37816046
    37816046

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-N,2-dimethyl-cyclopropanecarboxamide (1R,2R)-N-[(1S)-1-(4-fluoropheny…

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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) 3.26 8.1 -8.82 0 2 0 20 235.302 3 ↓

    Analogs

    37803025
    37803025
    37803026
    37803026
    37803027
    37803027
    37803028
    37803028
    37816046
    37816046

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-N,2-dimethyl-cyclopropanecarboxamide (1R,2S)-N-[(1S)-1-(4-fluoropheny…

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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) 3.26 8.14 -7.94 0 2 0 20 235.302 3 ↓

    Analogs

    44823941
    44823941
    44823942
    44823942

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]cyclopropanecarboxamide 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) 2.12 5.14 -7.79 1 3 0 38 219.284 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl]cyclopropanecarboxamide N-[(1S)-2-(diethylamino)-2-oxo-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) 1.97 7.18 -9.24 1 4 0 49 274.364 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropanecarboxam (1R,3S)-2,2-dimethyl-3-(2-methyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.41 4.72 -14.38 3 5 0 89 350.484 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]cyclopropanecarboxam (1R,3S)-2,2-dimethyl-3-(2-methyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.41 4.71 -14.25 3 5 0 89 350.484 5 ↓

    Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 3769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3769&filter.purchasability=annotated

    Embed Link to Results

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