Z-Ser-Ala-OH

Introduction

CAS No. :	24787-87-9	MDL No. :	MFCD00238506
Formula :	C14H18N2O6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VWPKWOHWTBYMEQ-ONGXEEELSA-N
M.W :	310.30	Pubchem ID :	6992462
Synonyms :

Physicochemical Properties

Num. heavy atoms :	22
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.36
Num. rotatable bonds :	10
Num. H-bond acceptors :	6.0
Num. H-bond donors :	4.0
Molar Refractivity :	75.47
TPSA :	124.96 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.65
Log Po/w (XLOGP3) :	0.13
Log Po/w (WLOGP) :	-0.29
Log Po/w (MLOGP) :	-0.11
Log Po/w (SILICOS-IT) :	0.03
Consensus Log Po/w :	0.28

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.39
Solubility :	12.7 mg/ml ; 0.041 mol/l
Class :	Very soluble
Log S (Ali) :	-2.31
Solubility :	1.52 mg/ml ; 0.00489 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.22
Solubility :	1.89 mg/ml ; 0.00608 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.29

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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