ID: | F18 | |
---|---|---|
Name: | Lactulose | |
Description: | ||
Labels: | ||
CAS: | 4618-18-2 | |
InChi Code: | InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1 |
Class_pH3: Class of membrane permeability at pH 3 i
Value | Source or prediction |
---|---|
L |
M1: Model at pH 3 with hydrophobicity descriptor (FDA reference drugs for BCS permeability class) |
L |
M7: Model at pH 3 with theoretical molecular descriptors (FDA reference drugs for BCS permeability class) |
Class_pH5: Class of membrane permeability at pH 5 i
Value | Source or prediction |
---|---|
L |
M2: Model at pH 5 with hydrophobicity descriptor (FDA reference drugs for BCS permeability class) |
L |
M8: Model at pH 5 with theoretical molecular descriptors (FDA reference drugs for BCS permeability class) |
Class_pH7.4: Class of membrane permeability at pH 7.4 i
Value | Source or prediction |
---|---|
L |
M3: Model at pH 7.4 with hydrophobicity descriptor (FDA reference drugs for BCS permeability class) |
L |
M9: Model at pH 7.4 with theoretical molecular descriptors (FDA reference drugs for BCS permeability class) |
Class_pH9: Class of membrane permeability at pH 9 i
Value | Source or prediction |
---|---|
L |
M4: Model at pH 9 with hydrophobicity descriptor (FDA reference drugs for BCS permeability class) |
L |
M10: Model at pH 9 with theoretical molecular descriptors (FDA reference drugs for BCS permeability class) |
Class_highest: Class of highest membrane permeability for pH range 3 to 9 i
Value | Source or prediction |
---|---|
L |
M5: Model for highest membrane permeability with hydrophobicity descriptor (FDA reference drugs for BCS permeability class) |
L |
M11: Model for highest membrane permeability with theoretical molecular descriptors (FDA reference drugs for BCS permeability class) |
Class_logPo: Class of intrinsic membrane permeability i
Value | Source or prediction |
---|---|
L |
M6: Model for intrinsic membrane permeability (logPo) with hydrophobicity descriptor (FDA reference drugs for BCS permeability class) |
L |
M12: Model for intrinsic membrane permeability (logPo) with theoretical molecular descriptors (FDA reference drugs for BCS permeability class) |
Class_FDA: BCS permeability class for FDA reference drugs i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
Fig5_1: Decision tree based on models with hydrophobicity descriptors (FDA reference drugs for BCS permeability class) |
L |
Fig5_2: Decision tree based on the models with theoretical molecular descriptors (FDA reference drugs for BCS permeability class) |
Link | Resource description |
---|---|
DTXCID3025833 | US EPA CompTox Dashboard |