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Entamoeba histolytica

Name And Classification

ID:  ALA612853

Type:  ORGANISM

Organism:  Entamoeba histolytica

Species Group:  Entamoeba histolytica

Associated Active Ligands

  1. Tetrahydrouridine
    ALA137

    Name:
    2-(2-Methyl-5-nitro-imidazol-1-yl)-ethanol

    Mol. Formula:
    C6H9N3O3

    M.W.:
    171.16

    Type:
    Small molecule

    AlogP:
    0.09

    Polar Surface Area:
    81.19

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. Tetrahydrouridine
    ALA301572

    Name:
    (Morpholin-4-yl-phosphono-methyl)-phosphonic acid

    Mol. Formula:
    C5H13NO7P2

    M.W.:
    261.11

    Type:
    Small molecule

    AlogP:
    -1.04

    Polar Surface Area:
    127.53

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. Tetrahydrouridine
    ALA55572

    Name:
    (1-Hydroxy-1-phosphono-octadecyl)-phosphonic acid

    Mol. Formula:
    C18H40O7P2

    M.W.:
    430.46

    Type:
    Small molecule

    AlogP:
    5.25

    Polar Surface Area:
    135.29

    HBA:
    3

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. Tetrahydrouridine
    ALA55837

    Name:
    (1-Hydroxy-1-phosphono-hexadecyl)-phosphonic acid

    Mol. Formula:
    C16H36O7P2

    M.W.:
    402.41

    Type:
    Small molecule

    AlogP:
    4.47

    Polar Surface Area:
    135.29

    HBA:
    3

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  5. Tetrahydrouridine
    ALA56704

    Name:
    [(4-Hydroxy-piperidin-1-yl)-phosphono-methyl]-phosphonic acid

    Mol. Formula:
    C6H15NO7P2

    M.W.:
    275.13

    Type:
    Small molecule

    AlogP:
    -0.92

    Polar Surface Area:
    138.53

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. Tetrahydrouridine
    ALA301857

    Name:
    [(2-Chloro-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid

    Mol. Formula:
    C6H9ClN2O6P2

    M.W.:
    302.55

    Type:
    Small molecule

    AlogP:
    0.79

    Polar Surface Area:
    139.98

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. Tetrahydrouridine
    ALA56047

    Name:
    [(3,4-Dihydro-1H-isoquinolin-2-yl)-phosphono-methyl]-phosphonic acid

    Mol. Formula:
    C10H15NO6P2

    M.W.:
    307.18

    Type:
    Small molecule

    AlogP:
    0.68

    Polar Surface Area:
    118.30

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  8. Tetrahydrouridine
    ALA300532

    Name:
    [(6-Bromo-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid

    Mol. Formula:
    C6H9BrN2O6P2

    M.W.:
    347.00

    Type:
    Small molecule

    AlogP:
    0.89

    Polar Surface Area:
    139.98

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. Tetrahydrouridine
    ALA56078

    Name:
    [(6-Chloro-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid

    Mol. Formula:
    C6H9ClN2O6P2

    M.W.:
    302.55

    Type:
    Small molecule

    AlogP:
    0.79

    Polar Surface Area:
    139.98

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  10. Tetrahydrouridine
    ALA301854

    Name:
    [(6-Hydroxy-pyridin-3-ylamino)-phosphono-methyl]-phosphonic acid

    Mol. Formula:
    C6H10N2O7P2

    M.W.:
    284.10

    Type:
    Small molecule

    AlogP:
    -0.16

    Polar Surface Area:
    160.21

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS