Z-Dap-OH

Introduction

CAS No. :	35761-26-3	MDL No. :	MFCD00237345
Formula :	C11H14N2O4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FOXRXVSTFGNURG-VIFPVBQESA-N
M.W :	238.24	Pubchem ID :	2756313
Synonyms :	N-Carbobenzyloxy--amino-L-alanine	Chemical Name :	Z-Dap-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 :	59.59
TPSA :	101.65 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) :	-9.28 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.43
Log Po/w (XLOGP3) :	-2.15
Log Po/w (WLOGP) :	0.17
Log Po/w (MLOGP) :	0.34
Log Po/w (SILICOS-IT) :	-0.04
Consensus Log Po/w :	-0.05

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.24
Solubility :	412.0 mg/ml ; 1.73 mol/l
Class :	Highly soluble
Log S (Ali) :	0.55
Solubility :	836.0 mg/ml ; 3.51 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-2.02
Solubility :	2.29 mg/ml ; 0.00959 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:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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