H-Arg(Mtr)-OH

Introduction

CAS No. :	80745-10-4	MDL No. :	MFCD00057846
Formula :	C16H26N4O5S	Boiling Point :	-
Linear Structure Formula :	C6H12N4O2CH3O(CH3)3C6SO2H2	InChI Key :	FUSAEZSSVDNYPO-LBPRGKRZSA-N
M.W :	386.47	Pubchem ID :	7408178
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	10
Num. H-bond acceptors :	7.0
Num. H-bond donors :	5.0
Molar Refractivity :	98.63
TPSA :	162.98 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-9.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.95
Log Po/w (XLOGP3) :	-1.23
Log Po/w (WLOGP) :	1.7
Log Po/w (MLOGP) :	-1.74
Log Po/w (SILICOS-IT) :	0.79
Consensus Log Po/w :	0.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.97
Solubility :	41.2 mg/ml ; 0.107 mol/l
Class :	Very soluble
Log S (Ali) :	-1.7
Solubility :	7.76 mg/ml ; 0.0201 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-4.02
Solubility :	0.0369 mg/ml ; 0.0000955 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.58

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319	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