2-Aminoimidazole sulfate

Introduction

CAS No. :	36946-29-9	MDL No. :	MFCD00050811
Formula :	C3H7N3O4S	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	LEUJVEZIEALICS-UHFFFAOYSA-N
M.W :	181.17	Pubchem ID :	135136
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	5.0
Num. H-bond donors :	4.0
Molar Refractivity :	37.21
TPSA :	137.68 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) :	-8.58 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-1.5
Log Po/w (XLOGP3) :	-1.66
Log Po/w (WLOGP) :	0.43
Log Po/w (MLOGP) :	-2.57
Log Po/w (SILICOS-IT) :	0.56
Consensus Log Po/w :	-0.95

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.25
Solubility :	101.0 mg/ml ; 0.557 mol/l
Class :	Very soluble
Log S (Ali) :	-0.72
Solubility :	34.5 mg/ml ; 0.191 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.76
Solubility :	31.3 mg/ml ; 0.173 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.78

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	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