H-D-Cys-OH

H-D-Cys-OH

Cat. No.: PI921017

Product Details Other Identifiers Computed Properties
CAS 921-01-7
Synonyms (S)-2-Amino-3-mercaptopropanoic acid
Purity 97%
Molecular Formula C3H7NO2S
Molecular Weight 121.16
Molar Refractivity 28.94
Pubchem ID 92851
InChI Key XUJNEKJLAYXESH-UWTATZPHSA-N
MDL Number MFCD00066461
Hydrogen Bond Donor Count 2.0
Hydrogen Bond Acceptor Count 3.0
Rotatable Bond Count 2
Topological Polar Surface Area 102.12 Ų
Heavy Atom Count 7
Aromatic Heavy Atoms Number 0
Fraction Csp3 0.67
Log Po/w (iLOGP) 0.36
Log Po/w (XLOGP3) -2.49
Log Po/w (WLOGP) -0.67
Log Po/w (MLOGP) -3.06
Log Po/w (SILICOS-IT) -0.69
Consensus Log Po/w -1.31
GI Absorption High
BBB Permeant No
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -8.81 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 3.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 1.0 alert
Leadlikeness 1.0
Synthetic Accessibility 1.75

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