Z-Lys(Z)-OH

Introduction

CAS No. :	405-39-0	MDL No. :	MFCD00037822
Formula :	C22H26N2O6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BLZXFNUZFTZCFD-IBGZPJMESA-N
M.W :	414.45	Pubchem ID :	7269422
Synonyms :		Chemical Name :	Z-Lys(Z)-OH

Physicochemical Properties

Num. heavy atoms :	30
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.32
Num. rotatable bonds :	15
Num. H-bond acceptors :	6.0
Num. H-bond donors :	3.0
Molar Refractivity :	109.88
TPSA :	113.96 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.72
Log Po/w (XLOGP3) :	3.35
Log Po/w (WLOGP) :	3.16
Log Po/w (MLOGP) :	2.35
Log Po/w (SILICOS-IT) :	2.74
Consensus Log Po/w :	2.86

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.83
Solubility :	0.0619 mg/ml ; 0.000149 mol/l
Class :	Soluble
Log S (Ali) :	-5.42
Solubility :	0.00157 mg/ml ; 0.0000038 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.16
Solubility :	0.000289 mg/ml ; 0.000000698 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.48

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:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine