H-Cys-OH

Name: H-Cys-OH
SKU: PI52904
Rating: 5 (1 reviews)

Cat. No.: PI52904

Product Details Other Identifiers Computed Properties

CAS	52-90-4
Synonyms	(R)-2-Amino-3-mercaptopropanoic acid
Purity	97%
Molecular Formula	C3H7NO2S
Linear Formula	H2NCH(CH2SH)CO2H
Molecular Weight	121.16
Molar Refractivity	28.94

Pubchem ID	5862
InChI Key	XUJNEKJLAYXESH-REOHCLBHSA-N
MDL Number	MFCD00064306

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	102.12 Å²
Heavy Atom Count	7
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.67
Log Po/w (iLOGP)	0.37
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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