The page will load shortly, Thanks for your patience!
View as Grid List

Items 1-20 of 70

Set Ascending Direction
Select all
  1. ALA4870881

    Name:
    (3S,6R,9S,12S,15S,18S,21S,24S,27R,32aS)-9,12,15,18
    Show More

    Mol. Formula:
    C63H95N15O10

    M.W.:
    1222.55

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4868675

    Name:
    (3S,6R,9S,12S,15S,18S,21S,24S,27R,32aS)-9,12,15,21
    Show More

    Mol. Formula:
    C63H94N14O10

    M.W.:
    1207.53

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4866693

    Name:
    (3S,6R,9S,12S,15S,18S,21S,24S,27R,32aS)-9,12,15,18
    Show More

    Mol. Formula:
    C62H94N16O10

    M.W.:
    1223.54

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA1091679

    Name:
    Polymyxin B Octapeptide

    Mol. Formula:
    C39H67N13O9

    M.W.:
    862.05

    Type:
    Protein

    AlogP:
    -5.71

    Polar Surface Area:
    383.13

    HBA:
    14

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  5. ALA1091676

    Name:
    N-((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoe
    Show More

    Mol. Formula:
    C43H73N11O9

    M.W.:
    888.12

    Type:
    Small molecule

    AlogP:
    -2.02

    Polar Surface Area:
    331.09

    HBA:
    12

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA1091313

    Name:
    desFA-[Dab1]Polymyxin B

    Cas Number:
    1406-11-7

    Mol. Formula:
    C48H82N16O14

    M.W.:
    1107.28

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA1091310

    Name:
    desFA-[Ala-Ala-Ala1]Polymyxin B

    Mol. Formula:
    C52H89N17O14

    M.W.:
    1176.39

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA1091297

    Name:
    [L-Trp7] Polymyxin B3

    Mol. Formula:
    C60H95N17O13

    M.W.:
    1262.53

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA1091295

    Name:
    [Gly7] Polymyxin B3

    Mol. Formula:
    C51H88N16O13

    M.W.:
    1133.36

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA1077565

    Name:
    [Gly6, Gly7] Polymyxin B3

    Mol. Formula:
    C44H82N16O13

    M.W.:
    1043.24

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA1091294

    Name:
    [Gly6] Polymyxin B3

    Mol. Formula:
    C48H90N16O13

    M.W.:
    1099.35

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA1091293

    Name:
    [D-Trp6] Polymyxin B3

    Mol. Formula:
    C57H97N17O13

    M.W.:
    1228.51

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1091292

    Name:
    [D-Ala6, Ala7] Polymyxin B3

    Mol. Formula:
    C46H86N16O13

    M.W.:
    1071.29

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA1091291

    Name:
    [Ala10] Polymyxin B3

    Mol. Formula:
    C54H94N16O12

    M.W.:
    1159.45

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA1091290

    Name:
    [Dab(Ac)8] Polymyxin B3

    Mol. Formula:
    C57H98N16O14

    M.W.:
    1231.51

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1091289

    Name:
    [Ala9] Polymyxin B3

    Mol. Formula:
    C54H93N15O13

    M.W.:
    1160.43

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA1090967

    Name:
    [Ala7] Polymyxin B3

    Mol. Formula:
    C52H90N16O13

    M.W.:
    1147.39

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA1090966

    Name:
    [Ala6] Polymyxin B3

    Mol. Formula:
    C49H92N16O13

    M.W.:
    1113.37

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA1090942

    Name:
    desFA-[Ala1]Polymyxin B

    Mol. Formula:
    C47H79N15O14

    M.W.:
    1078.24

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA1090941

    Name:
    [Ala3]Polymyxin B3

    Mol. Formula:
    C54H93N15O13

    M.W.:
    1160.43

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
Page
per page