• Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Cart Contents | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF

    57 T cruzi active hits (Public by lpodust) Active below 10 uM (tested against T. cruzi amastigotes cultured in C2C12 mouse myoblasts) Purchasability Report

    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 More

    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) 3.70 11.77 -18.54 1 5 0 68 388.467 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 More

    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) 3.70 11.68 -15.19 1 5 0 68 388.467 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 More

    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) 3.70 11.77 -18.66 1 5 0 68 388.467 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 More

    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) 3.70 11.68 -15.24 1 5 0 68 388.467 5

    Analogs

    227256
    227256

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 12 More

    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) 2.17 7.67 -10.34 1 4 0 66 289.338 5

    Analogs

    13123675
    13123675
    1291768
    1291768
    1291769
    1291769

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 7 More

    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) 2.55 11.6 -9.89 1 7 0 82 339.399 4
    Mid Mid (pH 6-8) 2.73 11.56 -38.58 0 7 -1 83 338.391 4
    Lo Low (pH 4.5-6) 2.73 12.24 -53.35 2 7 1 86 340.407 4

    Analogs

    1291768
    1291768
    1291769
    1291769
    13123674
    13123674

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 7 More

    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) 2.55 11.6 -9.88 1 7 0 82 339.399 4
    Mid Mid (pH 6-8) 2.73 11.56 -38.53 0 7 -1 83 338.391 4
    Lo Low (pH 4.5-6) 2.73 12.25 -53.39 2 7 1 86 340.407 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 8 More

    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) 3.00 9.64 -11.37 1 4 0 33 314.458 6
    Lo Low (pH 4.5-6) 3.00 10.1 -48.06 2 4 1 34 315.466 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 8 More

    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) 3.00 9.66 -11.28 1 4 0 33 314.458 6
    Lo Low (pH 4.5-6) 3.00 10.12 -49.34 2 4 1 34 315.466 6

    Analogs

    31947976
    31947976

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 7 More

    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) 3.98 7.96 -6.8 0 2 0 26 317.211 2

    Analogs

    2358774
    2358774
    2358777
    2358777

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 3 More

    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) 3.62 1.44 -7.23 0 5 0 57 348.189 5

    Analogs

    2358774
    2358774
    2358777
    2358777

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 3 More

    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) 3.62 1.19 -14.13 0 5 0 57 348.189 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 10 More

    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) 4.65 9.86 -15.87 1 5 0 60 395.182 6
    Lo Low (pH 4.5-6) 4.65 10.41 -45.95 2 5 1 62 396.19 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 18 More

    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) 4.17 0.18 -5.18 0 1 0 12 284.211 4
    Lo Low (pH 4.5-6) 4.17 0.29 -35.45 1 1 1 14 285.219 4

    Analogs

    7991650
    7991650
    38278640
    38278640

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 12 More

    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) 2.85 6.92 -8.75 0 3 0 31 241.29 4

    Analogs

    5486494
    5486494

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 7 More

    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) 3.10 0.53 -8.36 0 3 0 31 225.247 2
    Lo Low (pH 4.5-6) 3.10 0.64 -38.71 1 3 1 32 226.255 2

    Analogs

    19855502
    19855502
    19855504
    19855504
    19855516
    19855516
    19855518
    19855518

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 10 More

    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) 4.24 11.22 -16.38 1 5 0 68 380.488 4
    Lo Low (pH 4.5-6) 4.24 11.17 -41.08 2 5 1 70 381.496 4

    Analogs

    19855502
    19855502
    19855504
    19855504
    19855516
    19855516
    19855518
    19855518

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 10 More

    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) 4.24 11.22 -16.43 1 5 0 68 380.488 4
    Lo Low (pH 4.5-6) 4.24 11.19 -41.32 2 5 1 70 381.496 4

    Analogs

    19893025
    19893025
    31559640
    31559640
    36775826
    36775826
    36775827
    36775827
    36775829
    36775829

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 4 More

    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) 3.59 9.81 -4.91 1 2 0 25 288.394 6
    Lo Low (pH 4.5-6) 3.59 10.24 -35.61 2 2 1 26 289.402 6

    Analogs

    31559640
    31559640
    36775826
    36775826
    36775827
    36775827
    36775829
    36775829
    36775841
    36775841

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 4 More

    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) 3.59 9.89 -4.52 1 2 0 25 288.394 6
    Lo Low (pH 4.5-6) 3.59 10.32 -35.22 2 2 1 26 289.402 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 1 More

    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) 4.14 13.07 -7.09 0 4 0 48 362.191 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.04 9.12 -45.34 3 7 1 79 472.613 9
    Mid Mid (pH 6-8) 2.04 8.75 -44.91 3 7 1 79 472.613 9
    Mid Mid (pH 6-8) 2.04 6.84 -8.74 2 7 0 78 471.605 9

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.04 8.52 -42.22 3 7 1 79 472.613 9
    Mid Mid (pH 6-8) 2.04 8.75 -43.92 3 7 1 79 472.613 9
    Mid Mid (pH 6-8) 2.04 6.27 -9.39 2 7 0 78 471.605 9

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 48 More

    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) 2.43 1.82 -14.93 0 3 0 34 255.104 3
    Mid Mid (pH 6-8) -1.11 2.11 -41.34 1 3 1 36 256.112 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 15 More

    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) 3.12 7.75 -11.37 2 5 0 74 346.386 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 15 More

    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) 3.12 7.75 -11.3 2 5 0 74 346.386 4

    Analogs

    13140576
    13140576
    37050489
    37050489

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 1 More

    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) 2.77 9.53 -9.44 0 3 0 27 230.311 5
    Mid Mid (pH 6-8) 2.77 10.04 -35.17 1 3 1 28 231.319 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 1 More

    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) 3.04 10.82 -34.61 1 3 1 28 245.346 6
    Mid Mid (pH 6-8) 3.04 10.31 -8.83 0 3 0 27 244.338 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.91 10.97 -8.43 0 3 0 27 278.783 8
    Mid Mid (pH 6-8) 3.91 11.49 -34.21 1 3 1 28 279.791 8

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.55 11.42 -34.43 1 3 1 28 259.373 7
    Mid Mid (pH 6-8) 3.55 10.9 -9.86 0 3 0 27 258.365 7

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 3 More

    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) 3.99 11.12 -9.61 0 3 0 27 323.234 8
    Mid Mid (pH 6-8) 3.99 11.64 -35.06 1 3 1 28 324.242 8

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 11 More

    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) 2.76 8.73 -9.45 0 3 0 27 281.153 5
    Mid Mid (pH 6-8) 2.76 9.25 -36.38 1 3 1 28 282.161 5

    Analogs

    39893124
    39893124

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 10 More

    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) 2.80 -0.49 -15.24 1 4 0 55 316.36 4
    Lo Low (pH 4.5-6) 2.80 -0.38 -48.12 2 4 1 56 317.368 4

    Analogs

    3878454
    3878454

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 5 More

    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) 4.61 1.03 -5.51 0 3 0 31 327.468 4
    Lo Low (pH 4.5-6) 4.61 1.14 -30.81 1 3 1 32 328.476 4

    Analogs

    3878453
    3878453

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 5 More

    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) 4.61 1.66 -4.96 0 3 0 31 327.468 4
    Lo Low (pH 4.5-6) 4.61 1.77 -31.14 1 3 1 32 328.476 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 5 More

    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 0.64 -7.21 0 2 0 30 215.277 3

    Analogs

    6514341
    6514341
    13281677
    13281677

    Draw Identity 99% 90% 80% 70%

    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) 3.55 12.48 -6.36 0 2 0 18 260.34 3
    Mid Mid (pH 6-8) 3.55 12.98 -32.81 1 2 1 19 261.348 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 4.11 11.26 -6.78 0 2 0 18 294.32 4
    Mid Mid (pH 6-8) 4.11 11.77 -37.02 1 2 1 19 295.328 4

    Analogs

    4385846
    4385846

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 10 More

    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) 3.46 -2.3 -15.43 1 6 0 73 407.495 6
    Mid Mid (pH 6-8) 3.46 -2.02 -43.19 2 6 1 74 408.503 6

    Analogs

    4385845
    4385845

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 10 More

    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) 3.46 -2.34 -16.25 1 6 0 73 407.495 6
    Mid Mid (pH 6-8) 3.46 -2.06 -42.11 2 6 1 74 408.503 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 4 More

    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) 3.00 1.82 -13.05 1 4 0 50 359.351 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 4 More

    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) 3.00 1.8 -11.92 1 4 0 50 359.351 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 More

    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) 2.08 -0.27 -13.15 1 4 0 50 291.354 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 13 More

    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) 2.08 -0.35 -13.12 1 4 0 50 291.354 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 11 More

    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) 3.11 1.67 -7.16 0 2 0 17 232.286 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 9 More

    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) 3.62 -5.32 -14.97 4 6 0 96 413.506 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 4 More

    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) 2.46 8.16 -8.58 0 2 0 30 227.307 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 9 More

    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) 2.04 8.4 -19.76 2 6 0 87 364.199 6

    Analogs

    4902250
    4902250

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 7 More

    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) 2.74 6.36 -24.32 1 7 0 92 416.528 4

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 7 More

    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) 3.23 4.21 -14.1 1 5 0 72 410.318 5
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245