H-Asn-OH·H₂O

Cat. No.: PI5794138

Product Details Other Identifiers Computed Properties

CAS	5794-13-8
Synonyms	(S)-2,4-Diamino-4-oxobutanoic acid hydrate
Purity	98%
Molecular Formula	C4H10N2O4
Molecular Weight	150.13
Molar Refractivity	31.78

Pubchem ID	170358
InChI Key	RBMGJIZCEWRQES-DKWTVANSSA-N
MDL Number	MFCD00151038

Hydrogen Bond Donor Count	4.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	3
Topological Polar Surface Area	115.64 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.5
Log Po/w (iLOGP)	-0.38
Log Po/w (XLOGP3)	-3.88
Log Po/w (WLOGP)	-1.79
Log Po/w (MLOGP)	-4.8
Log Po/w (SILICOS-IT)	-1.73
Consensus Log Po/w	-2.52
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-9.97 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.81

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