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

Items 1-20 of 87

Set Ascending Direction
Select all
  1. ALA4802105

    Name:
    (2R,3R)-3,5,7-Trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxy-phenylShow More

    Mol. Formula:
    C25H22O10

    M.W.:
    482.44

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    166.14

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA4762101

    Name:
    NA

    Mol. Formula:
    C175H266N50O56S6

    M.W.:
    4158.75

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4742779

    Name:
    NA

    Mol. Formula:
    C154H237N43O44S6

    M.W.:
    3587.25

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4588827

    Name:
    NA

    Mol. Formula:
    C72H106N18O18S2

    M.W.:
    1575.88

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4569923

    Name:
    NA

    Mol. Formula:
    C72H107N21O18S2

    M.W.:
    1618.91

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4563187

    Name:
    (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2-amino-4-pyridyl)methyl]pyrrolShow More

    Mol. Formula:
    C24H27F6N5O6

    M.W.:
    595.50

    Type:
    Unknown

    AlogP:
    0.84

    Polar Surface Area:
    114.34

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  7. ALA4551377

    Name:
    (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2,6-diamino-4-pyridyl)methyl]pyShow More

    Mol. Formula:
    C24H28F6N6O6

    M.W.:
    610.51

    Type:
    Unknown

    AlogP:
    0.42

    Polar Surface Area:
    140.36

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  8. ALA4531752

    Name:
    NA

    Mol. Formula:
    C69H106N16O18S2

    M.W.:
    1511.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4513436

    Name:
    (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(6-amino-3-pyridyl)methyl]pyrrolShow More

    Mol. Formula:
    C24H27F6N5O6

    M.W.:
    595.50

    Type:
    Unknown

    AlogP:
    0.84

    Polar Surface Area:
    114.34

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA4465587

    Name:
    (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(4-pyridylmethyl)pyrrolidine-Show More

    Mol. Formula:
    C30H30F6N4O6

    M.W.:
    656.58

    Type:
    Unknown

    AlogP:
    2.85

    Polar Surface Area:
    88.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  11. ALA4447828

    Name:
    NA

    Mol. Formula:
    C67H104N18O18S2

    M.W.:
    1513.81

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4439523

    Name:
    NA

    Mol. Formula:
    C72H107N19O18S2

    M.W.:
    1590.90

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA4217607

    Name:
    MCoTI-II

    Mol. Formula:
    C137H219N49O46S6

    M.W.:
    3480.96

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4217569

    Name:
    Cycloviolacin O1

    Mol. Formula:
    C131H203N35O41S6

    M.W.:
    3116.67

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4212172

    Name:
    Kalata B2

    Mol. Formula:
    C121H179N35O40S6

    M.W.:
    2956.37

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4211294

    Name:
    Kalata B1

    Mol. Formula:
    C117H179N35O39S6

    M.W.:
    2892.33

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4210529

    Name:
    Cycloviolacin O2

    Mol. Formula:
    C133H207N37O39S6

    M.W.:
    3140.74

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4094808

    Name:
    (S)-2-((S)-1-((S)-2-((S)-2-(2-((S)-1-((S)-1-((S)-2-((S)-6-amino-2-((6S,9S,1Show More

    Mol. Formula:
    C88H143N23O22S2

    M.W.:
    1939.39

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA3144127

    Name:
    N-(1-{1-[4-Guanidino-1-(4-nitro-phenylcarbamoyl)-butylcarbamoyl]-2-methyl-pShow More

    Mol. Formula:
    C33H40N8O6

    M.W.:
    644.73

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    223.94

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  20. ALA2373064

    Name:
    2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl-4-guanidino-butylcarbamoShow More

    Mol. Formula:
    C23H36N6O5

    M.W.:
    476.58

    Type:
    Protein

    AlogP:
    -0.29

    Polar Surface Area:
    189.00

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
Page
per page