EcoDrugPlus


Synonyms	Guanidine
Status
Molecule Category	UNKNOWN
UNII	JU58VJ6Y3B
EPA CompTox	DTXSID0023117

Synonyms

Guanidine

Status

Molecule Category

UNKNOWN

UNII

JU58VJ6Y3B

EPA CompTox

DTXSID0023117


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	ZRALSGWEFCBTJO-UHFFFAOYSA-N
Smiles	N=C(N)N
InChI	InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)

InChI Key

ZRALSGWEFCBTJO-UHFFFAOYSA-N

Smiles

N=C(N)N

InChI

InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)

Property Name	Value
Molecular Formula	CH5N3
Molecular Weight	59.07
AlogP	-1.16
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	0.0
Polar Surface Area	75.89
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	4.0

Property Name

Value

Molecular Formula

CH5N3

Molecular Weight

59.07

AlogP

-1.16

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

0.0

Polar Surface Area

75.89

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

4.0

Resources	Reference
ChEBI	42820
ChEMBL	CHEMBL821
DrugBank	DB00536
DrugCentral	1344
FDA SRS	JU58VJ6Y3B
Human Metabolome Database	HMDB0001842
Guide to Pharmacology	4783
PDB	GAI
PharmGKB	PA164781028
PubChem	3520
SureChEMBL	SCHEMBL2003
ZINC	ZINC000008101126

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0001842

Guide to Pharmacology

PDB

PharmGKB

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

GUANIDINE

Structure

Physicochemical Descriptors

Cross References