H-D-Ser-OH

Introduction

CAS No. :	312-84-5	MDL No. :	MFCD00004269
Formula :	C3H7NO3	Boiling Point :	-
Linear Structure Formula :	HOCH2CHNH2COOH	InChI Key :	MTCFGRXMJLQNBG-UWTATZPHSA-N
M.W :	105.09	Pubchem ID :	71077
Synonyms :	(R)-Serine;NSC 77689

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	22.18
TPSA :	83.55 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) :	-9.12 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.19
Log Po/w (XLOGP3) :	-3.07
Log Po/w (WLOGP) :	-1.61
Log Po/w (MLOGP) :	-3.91
Log Po/w (SILICOS-IT) :	-1.45
Consensus Log Po/w :	-1.97

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.57
Solubility :	3950.0 mg/ml ; 37.5 mol/l
Class :	Highly soluble
Log S (Ali) :	1.88
Solubility :	7970.0 mg/ml ; 75.9 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	1.3
Solubility :	2080.0 mg/ml ; 19.8 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.51

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:

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