Z-Gly-OMe

Introduction

CAS No. :	1212-53-9	MDL No. :	MFCD00043631
Formula :	C11H13NO4	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DZYBBBYFLOPVOL-UHFFFAOYSA-N
M.W :	223.23	Pubchem ID :	71033
Synonyms :		Chemical Name :	Z-Gly-OMe

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.27
Num. rotatable bonds :	7
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.4
TPSA :	64.63 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.29
Log Po/w (XLOGP3) :	1.36
Log Po/w (WLOGP) :	0.93
Log Po/w (MLOGP) :	1.15
Log Po/w (SILICOS-IT) :	1.1
Consensus Log Po/w :	1.37

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.9
Solubility :	2.83 mg/ml ; 0.0127 mol/l
Class :	Very soluble
Log S (Ali) :	-2.32
Solubility :	1.07 mg/ml ; 0.00479 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.03
Solubility :	0.207 mg/ml ; 0.000929 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.21

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