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  • Cart Contents | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF

    OXA-1 frags (Public by klingnei) picked by NVK Purchasability Report

    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

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    Vendors

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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) -0.83 2.09 -16.87 5 6 0 103 249.299 2
    Hi High (pH 8-9.5) -0.37 0.07 -58.71 4 6 -1 106 248.291 2
    Lo Low (pH 4.5-6) -0.83 2.42 -45.1 6 6 1 104 250.307 2

    Analogs

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    Vendors

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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) -1.49 -5.64 -56.42 4 6 -1 107 176.177 4

    Analogs

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    And 2 More

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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) 1.34 4.01 -11.84 4 4 0 70 182.614 0

    Analogs

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    Vendors

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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 2.3 -13.05 2 7 0 97 243.226 2
    Hi High (pH 8-9.5) 0.79 0.27 -46.09 1 7 -1 103 242.218 2

    Analogs

    259628
    259628

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    Vendors

    And 10 More

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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) 2.35 4.17 -13.27 2 5 0 75 241.25 3
    Hi High (pH 8-9.5) 2.35 5.02 -61.51 1 5 -1 77 240.242 3

    Analogs

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    Vendors

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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) 1.86 4.53 -31.59 3 4 0 80 222.631 1
    Hi High (pH 8-9.5) 1.86 4.12 -43.42 2 4 -1 79 221.623 1

    Analogs

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    And 1 More

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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) 2.36 4.83 -8.84 2 4 0 58 235.331 3
    Mid Mid (pH 6-8) 2.36 4.88 -7.76 2 4 0 58 235.331 3

    Analogs

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    Vendors

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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) 0.39 0.01 -8.56 5 4 0 81 162.196 0
    Mid Mid (pH 6-8) 0.39 0.01 -9.37 5 4 0 81 162.196 0
    Mid Mid (pH 6-8) 0.39 0.45 -27.55 6 4 1 82 163.204 0

    Analogs

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    And 2 More

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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) -2.19 -2.96 -60.11 3 7 -1 119 195.091 2

    Analogs

    41669752
    41669752
    5387336
    5387336

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    And 1 More

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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) 1.60 7.49 -18.29 0 6 0 77 236.256 3
    Lo Low (pH 4.5-6) 1.60 8.03 -97.58 2 6 2 79 238.272 3
    Lo Low (pH 4.5-6) 1.60 7.63 -42.05 1 6 1 78 237.264 3

    Analogs

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    Vendors

    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) 0.86 2.01 -6.97 2 10 0 135 218.136 0
    Mid Mid (pH 6-8) 0.87 1.54 -8.91 2 10 0 135 218.136 0
    Mid Mid (pH 6-8) 0.86 1.61 -27.25 1 10 -1 134 217.128 0

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

      None

    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) -0.52 -1.81 -10.58 3 8 0 104 242.264 4
    Hi High (pH 8-9.5) -0.52 -1.82 -39.19 2 8 -1 103 241.256 4

    Analogs

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    And 2 More

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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) 2.53 -1.48 -11.63 3 4 0 67 239.278 3

    Analogs

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    Vendors

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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 2.99 -21.92 3 7 0 96 221.22 0

    Analogs

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    Vendors

      None

    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) 0.09 0.33 -9.37 3 5 0 81 240.303 4

    Analogs

    8729881
    8729881

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    Vendors

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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) -0.51 -2.92 -44.34 1 6 -1 98 189.172 1
    Mid Mid (pH 6-8) -0.51 -1.82 -112.12 0 6 -2 101 188.164 1

    Analogs

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    And 5 More

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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 5.24 -10.69 2 5 0 73 236.271 4

    Analogs

    12436899
    12436899

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    And 15 More

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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) 0.84 0.95 -11.27 2 5 0 73 234.255 2

    Analogs

    34463422
    34463422
    12890186
    12890186

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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) 0.73 0.39 -11.23 3 5 0 81 200.219 3

    Analogs

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    Vendors

      None

    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) 0.99 -1.06 -10.14 2 5 0 80 247.316 4

    Analogs

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    Vendors

    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) 0.42 1.08 -15.89 2 6 0 96 245.256 4

    Analogs

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    And 14 More

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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) -0.59 -1.86 -19.82 2 5 0 79 226.257 3

    Analogs

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    Vendors

    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) 1.78 5.11 -7.19 1 4 0 51 201.295 5

    Analogs

    4533713
    4533713

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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) -2.98 -2.53 -42.44 4 6 0 113 186.167 3

    Analogs

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    Vendors

      None

    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) -0.09 -2.49 -16.71 4 7 0 105 228.252 4

    Analogs

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    And 11 More

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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 7.83 -15.71 0 4 0 57 242.23 3

    Analogs

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    Vendors

      None

    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) 2.75 5.94 -8.64 2 6 0 87 249.27 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

      None

    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) 2.24 4.63 -9.47 1 5 0 69 239.167 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

      None

    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) 0.79 -0.49 -14.73 4 7 0 121 239.231 5
    Hi High (pH 8-9.5) 0.79 0.5 -52.16 3 7 -1 124 238.223 5
    Lo Low (pH 4.5-6) 0.79 0.77 -57.78 5 7 1 126 240.239 5

    Analogs

    19798387
    19798387
    19798388
    19798388
    34614935
    34614935
    34624837
    34624837
    6093700
    6093700

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    Vendors

    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) -1.98 -3.61 -43.28 4 5 0 96 205.217 3

    Analogs

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    And 8 More

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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) 0.55 2.83 -14.83 3 5 0 81 248.311 4
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245