Z-Ser-OH

Introduction

CAS No. :	1145-80-8	MDL No. :	MFCD00002662
Formula :	C11H13NO5	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	GNIDSOFZAKMQAO-VIFPVBQESA-N
M.W :	239.22	Pubchem ID :	100310
Synonyms :		Chemical Name :	Z-Ser-OH

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.27
Num. rotatable bonds :	7
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	58.05
TPSA :	95.86 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) :	-7.49 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.52
Log Po/w (XLOGP3) :	0.38
Log Po/w (WLOGP) :	0.21
Log Po/w (MLOGP) :	0.34
Log Po/w (SILICOS-IT) :	0.2
Consensus Log Po/w :	0.53

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.36
Solubility :	10.4 mg/ml ; 0.0435 mol/l
Class :	Very soluble
Log S (Ali) :	-1.96
Solubility :	2.63 mg/ml ; 0.011 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.8
Solubility :	3.77 mg/ml ; 0.0158 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.64

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

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