Mrv0541 02241205492D          

 13  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -4.1250    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    5.1857   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1857   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1857   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0107   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  2  0  0  0  0
M  CHG  3   8   2   9  -1  11  -1
M  END
> <DATABASE_ID>
DBSALT001306

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.O.O.O.[Zn++].[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S.7H2O.Zn/c1-5(2,3)4;;;;;;;;/h(H2,1,2,3,4);7*1H2;/q;;;;;;;;+2/p-2

> <INCHI_KEY>
RZLVQBNCHSJZPX-UHFFFAOYSA-L

> <FORMULA>
H14O11SZn

> <MOLECULAR_WEIGHT>
287.579

> <EXACT_MASS>
285.954828558

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) heptahydrate sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001306

> <NAME>
Zinc sulfate heptahydrate

> <DRUG_DRUGBANK_ID>
DB09322

> <DRUG_NAME>
Zinc sulfate

> <CAS_NUMBER>
7446-20-0

> <UNII>
N57JI2K7WP

$$$$