WATER


Synonyms	Adelheid aqua Adelheidsquelle Aqua adelheid Aqua pro injectione Aqua purificata Aqua sterilisata pro injectione Aqua wiesbaden Aqua wildbad B1217 NSC-147337 Pur-wash Purified water R-718 Sterile purified water Sterile water Sterile water for inhalation Sterile water for injection Sterile water for injections Sterile water for irrigation Ultrex ii ultrapure Water Water for hemodialysis Water for inhalation, sterile Water for injection Water for injections Water for irrigation,sterile Water purified Water, deionized Water, purified Water, purified sterile Water, sterile purified Water,bacteriostatic Water,bacteriostatic injection Water,deionized Water,distilled Water,purified Water,sanitized Water,sterile Wiesbaden Wiesbaden aqua Wildbad aqua
Status
Molecule Category	Free-form
UNII	059QF0KO0R
EPA CompTox	DTXSID6026296
Parent Compound:	WATER


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

Structure


InChI Key	XLYOFNOQVPJJNP-UHFFFAOYSA-N
Smiles	O
InChI	InChI=1S/H2O/h1H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	H2O
Molecular Weight	18.02
AlogP	-0.82
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	31.5
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	1.0

Cross References

Resources	Reference
ChEBI	15377
ChEMBL	CHEMBL1098659
DrugBank	DB09145
FDA SRS	059QF0KO0R
Human Metabolome Database	HMDB0002111
KEGG	C00001
PDB	O
PubChem	962
SureChEMBL	SCHEMBL624


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).