Your company account is blocked and you cannot place orders. If you have questions, please contact your company administrator.

Influenza B virus

Name And Classification

ID:  ALA613129

Type:  ORGANISM

Organism:  Influenza B virus

Species Group:  Influenza B virus

Associated Active Ligands

  1. Tetrahydrouridine
    ALA109645

    Name:
    5-Acetylamino-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid

    Mol. Formula:
    C11H19NO9

    M.W.:
    309.27

    Type:
    Small molecule

    AlogP:
    -3.87

    Polar Surface Area:
    176.78

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  2. Tetrahydrouridine
    ALA198676

    Name:
    methyl 2-(2-((S)-1-(3-fluorobenzamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate

    Mol. Formula:
    C20H20FN3O4S

    M.W.:
    417.46

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    94.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. Tetrahydrouridine
    ALA370133

    Name:
    methyl 2-(2-((S)-1-(2-methoxybenzamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate

    Mol. Formula:
    C21H23N3O5S

    M.W.:
    429.50

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    103.55

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  4. Tetrahydrouridine
    ALA198748

    Name:
    methyl 5-methyl-2-(2-((S)-2-methyl-1-(4-methylpent-3-enamido)propyl)thiazol-4-yl)oxazole-4-carboxylate

    Mol. Formula:
    C19H25N3O4S

    M.W.:
    391.49

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    94.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  5. Tetrahydrouridine
    ALA199173

    Name:
    methyl 5-methyl-2-(2-((S)-2-methyl-1-pent-4-enamidopropyl)thiazol-4-yl)oxazole-4-carboxylate

    Mol. Formula:
    C18H23N3O4S

    M.W.:
    377.47

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    94.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. Tetrahydrouridine
    ALA381228

    Name:
    methyl 5-methyl-2-(2-((S)-2-methyl-1-(5-methylhex-4-enamido)propyl)thiazol-4-yl)oxazole-4-carboxylate

    Mol. Formula:
    C20H27N3O4S

    M.W.:
    405.52

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    94.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  7. Tetrahydrouridine
    ALA372831

    Name:
    methyl 2-(2-((S)-1-(2-cyclohexenylacetamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate

    Mol. Formula:
    C21H27N3O4S

    M.W.:
    417.53

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    94.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  8. Tetrahydrouridine
    ALA198804

    Name:
    methyl 2-(2-((S)-1-(2-cyclopentenylacetamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate

    Mol. Formula:
    C20H25N3O4S

    M.W.:
    403.50

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    94.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  9. Tetrahydrouridine
    ALA199261

    Name:
    methyl 2-((S)-1-(5-methyl-2-(2-((S)-2-methyl-1-(4-methylpent-3-enamido)propyl)thiazol-4-yl)oxazole-4-carboxamido)ethyl)oxazole-4-carboxylate

    Mol. Formula:
    C25H31N5O6S

    M.W.:
    529.62

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    149.45

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  10. Tetrahydrouridine
    ALA198538

    Name:
    methyl 2-(2-((S)-1-(cyclobutanecarboxamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate

    Mol. Formula:
    C18H23N3O4S

    M.W.:
    377.47

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    94.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS