ID: | E30 | |
---|---|---|
Name: | Levosimendan | |
Description: | ||
Labels: | ||
CAS: | 141505-33-1 | |
InChi Code: | InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1 |
Class_pH3: Class of membrane permeability at pH 3 i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
M1: Model at pH 3 with hydrophobicity descriptor (External validation set) |
H |
M7: Model at pH 3 with theoretical molecular descriptors (External validation set) |
Class_pH5: Class of membrane permeability at pH 5 i
Value | Source or prediction |
---|---|
L |
experimental value |
H |
M2: Model at pH 5 with hydrophobicity descriptor (External validation set) |
L |
M8: Model at pH 5 with theoretical molecular descriptors (External validation set) |
Class_pH7.4: Class of membrane permeability at pH 7.4 i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
M3: Model at pH 7.4 with hydrophobicity descriptor (External validation set) |
H |
M9: Model at pH 7.4 with theoretical molecular descriptors (External validation set) |
Class_pH9: Class of membrane permeability at pH 9 i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
M4: Model at pH 9 with hydrophobicity descriptor (External validation set) |
L |
M10: Model at pH 9 with theoretical molecular descriptors (External validation set) |
Class_highest: Class of highest membrane permeability for pH range 3 to 9 i
Value | Source or prediction |
---|---|
L |
experimental value |
H |
M5: Model for highest membrane permeability with hydrophobicity descriptor (External validation set) |
L |
M11: Model for highest membrane permeability with theoretical molecular descriptors (External validation set) |
Class_logPo: Class of intrinsic membrane permeability i
Value | Source or prediction |
---|---|
L |
experimental value |
H |
M6: Model for intrinsic membrane permeability (logPo) with hydrophobicity descriptor (External validation set) |
L |
M12: Model for intrinsic membrane permeability (logPo) with theoretical molecular descriptors (External validation set) |
Link | Resource description |
---|---|
DTXCID7026445 | US EPA CompTox Dashboard |