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Compounds

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  1. ALA480680

    Name:
    1,3-O-diacetyl 5-[8'(Z)-pentadecenyl]resorcinol

    Mol. Formula:
    C25H38O4

    M.W.:
    402.58

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.95

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  2. ALA451044

    Name:
    5-tridecyl resorcinol

    Mol. Formula:
    C19H32O2

    M.W.:
    292.46

    12  activity values

    11   unique targets

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. ALA476083

    Name:
    5-[10'(Z)-heptadecenyljresorcinol

    Mol. Formula:
    C23H38O2

    M.W.:
    346.56

    7  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    7.29

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA479230

    Name:
    methyl O-acetyl 6-[8'(Z)-pentadecenyl]salicylate

    Mol. Formula:
    C25H38O4

    M.W.:
    402.58

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.81

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  5. ALA477126

    Name:
    methyl 6-[8'(Z)-pentadecenyl]salicylate

    Mol. Formula:
    C23H36O3

    M.W.:
    360.54

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.59

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. Ginkgolic Acid (C13:0)

    Name:
    6-tridecyl phenol

    Mol. Formula:
    C20H32O3

    M.W.:
    320.47

    30  activity values

    19   unique targets

    Type:
    Small molecule

    AlogP:
    5.94

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. Ginkgolic acid C17:1

    Name:
    6-[10'(Z)-heptade-cenyljsalicylic acid

    Mol. Formula:
    C24H38O3

    M.W.:
    374.57

    75  activity values

    67   unique targets

    Type:
    Small molecule

    AlogP:
    7.28

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. ALA448270

    Name:
    3-tridecyl phenol

    Mol. Formula:
    C19H32O

    M.W.:
    276.46

    10  activity values

    9   unique targets

    Type:
    Small molecule

    AlogP:
    6.25

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA512866

    Name:
    O-acetyl 3-[8'(Z)-pentadecenyl]-phenol

    Mol. Formula:
    C23H36O2

    M.W.:
    344.54

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    7.02

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  10. ALA470127

    Name:
    3-[10'(Z)-heptadecenyl]phenol

    Mol. Formula:
    C23H38O

    M.W.:
    330.56

    9  activity values

    8   unique targets

    Type:
    Small molecule

    AlogP:
    7.58

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
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