Mrv1718007091815552D          

 19  6  0  0  0  0            999 V2000
   -3.7125    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    2.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.2927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.0072    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2375    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125    2.0072    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3625    1.7690    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8500   -1.0717    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7303   -1.0717    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6107   -1.0717    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8500   -2.7217    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7303   -2.7217    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.5782    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -5.3625    2.0072    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    2.0625    0.5782    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.0072    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    4.5375    1.7690    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
M  CHG  8   3  -1   4  -1   7  -1   8  -1   9  -1  10  -1  11  -1  12  -1
M  CHG  7  13  -1  14  -1  15   2  16   2  17   2  18   2  19   2
M  END
> <DATABASE_ID>
DB14494

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2CH2O3.6H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);6*1H2;;;;;/q;;;;;;;;5*+2/p-10

> <INCHI_KEY>
UOURRHZRLGCVDA-UHFFFAOYSA-D

> <FORMULA>
C2H6O12Zn5

> <MOLECULAR_WEIGHT>
548.96

> <EXACT_MASS>
541.631636

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentazinc(2+) hexahydroxide dicarbonate

> <ALOGPS_LOGP>
0.32

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
-0.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.09e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentazinc(2+) hexahydroxide dicarbonate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14494

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Zinc carbonate

> <SYNONYMS>
Basic zinc carbonate; Zinc carbonate; Zinc carbonate, basic; Zinc subcarbonate

> <PRODUCTS>
Go PSP calamine; Ma Ying Long Hemorrhoidal; PSP Calamine

$$$$