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

Items 1-20 of 619

Set Ascending Direction
Select all
  1. ALA4878602

    Name:
    1-(2,3-dihydroxy-4-(2-(2-methyl-5-nitro-1H-imidazo
    Show More

    Mol. Formula:
    C20H18N4O8

    M.W.:
    442.38

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    170.86

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA4877282

    Name:
    tetra-(L-phenylalanine ethyl ester)[(2-(guanine-9-
    Show More

    Mol. Formula:
    C55H71N9O13P2

    M.W.:
    1128.17

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4875783

    Name:
    5-isopropyl-2-methylphenyl 2-(2-methyl-5-nitro-1H-
    Show More

    Mol. Formula:
    C16H19N3O4

    M.W.:
    317.35

    Type:
    Unknown

    AlogP:
    3.14

    Polar Surface Area:
    87.26

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA5286625

    Name:
    Isomasticadienolic acid

    Mol. Formula:
    C30H48O3

    M.W.:
    456.71

    Type:
    ---

    AlogP:
    7.54

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. ALA5280919

    Name:
    5-((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)-2
    Show More

    Mol. Formula:
    C12H9N5O3S2

    M.W.:
    335.37

    Type:
    ---

    AlogP:
    2.28

    Polar Surface Area:
    102.42

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  6. ALA5290146

    Name:
    Isobrasiliensic acid

    Mol. Formula:
    C32H46O6

    M.W.:
    526.71

    Type:
    ---

    AlogP:
    7.43

    Polar Surface Area:
    100.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA5287831

    Name:
    2-(1-Methyl-5-nitro-1H-imidazol-2-yl)-5-((1-phenyl
    Show More

    Mol. Formula:
    C14H13N5O2S2

    M.W.:
    347.43

    Type:
    ---

    AlogP:
    3.70

    Polar Surface Area:
    86.74

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA5315706

    Name:
    7-(4-(2-(2-chlorophenyl)-2-(methoxyimino)ethyl)pip
    Show More

    Mol. Formula:
    C26H26ClFN4O4

    M.W.:
    512.97

    Type:
    ---

    AlogP:
    4.00

    Polar Surface Area:
    87.37

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  9. ALA4859287

    Name:
    Tetra-(L-phenylalanine ethyl ester)(2-((2-(guanin-
    Show More

    Mol. Formula:
    C62H87N11O10P2

    M.W.:
    1208.39

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4857527

    Name:
    Saccharothrixin K

    Mol. Formula:
    C25H24O8

    M.W.:
    452.46

    Type:
    Unknown

    AlogP:
    1.69

    Polar Surface Area:
    136.68

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA4860230

    Name:
    tetra-(L-alanine ethyl ester)[3R,4R]-4-Guanin-9-yl
    Show More

    Mol. Formula:
    C33H56N10O14P2

    M.W.:
    878.81

    Type:
    Unknown

    AlogP:
    -0.66

    Polar Surface Area:
    326.82

    HBA:
    18

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  12. ALA4849794

    Name:
    5-hydroxy-3-(4-hydroxyphenyl)-7-(2-(2-methyl-5-nit
    Show More

    Mol. Formula:
    C21H17N3O7

    M.W.:
    423.38

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    140.86

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  13. ALA4848194

    Name:
    tetra-(L-phenylalanine ethyl ester)[3R,4R]-4-Guani
    Show More

    Mol. Formula:
    C57H72N10O14P2

    M.W.:
    1183.21

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4848117

    Name:
    Saccharothrixin G

    Mol. Formula:
    C20H20O6

    M.W.:
    356.37

    Type:
    Unknown

    AlogP:
    1.12

    Polar Surface Area:
    99.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  15. ALA2297974

    Name:
    (5Z)-5-(2-Oxoindolin-3-ylidene)-2-(4-phenylthiazol
    Show More

    Mol. Formula:
    C21H14N4O2S2

    M.W.:
    418.50

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    83.45

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA2297973

    Name:
    (5Z)-5-(2-Oxoindolin-3-ylidene)-2-(thiazol-2-ylimi
    Show More

    Mol. Formula:
    C15H10N4O2S2

    M.W.:
    342.41

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    83.45

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  17. ALA2297972

    Name:
    (5Z)-2-(Benzodthiazol-2-ylimino)-5-((1-methyl-5-ni
    Show More

    Mol. Formula:
    C16H11N5O3S2

    M.W.:
    385.43

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    102.42

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  18. ALA2297971

    Name:
    (5Z)-2-(4-(4-Methoxyphenyl)thiazol-2-ylimino)-5-((
    Show More

    Mol. Formula:
    C19H15N5O4S2

    M.W.:
    441.49

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    111.65

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  19. ALA2297970

    Name:
    (5Z)-5-((1-Methyl-5-nitro-1H-imidazol-2-yl)methyle
    Show More

    Mol. Formula:
    C18H13N5O3S2

    M.W.:
    411.47

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    102.42

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA2297969

    Name:
    (5Z)-5-((1-Methyl-5-nitro-1H-imidazol-2-yl)methyle
    Show More

    Mol. Formula:
    C12H9N5O3S2

    M.W.:
    335.37

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    102.42

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
Page
per page