Mrv1652312081619472D          

 19 18  0  0  1  0            999 V2000
    0.9001   -0.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451   -1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799   -1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648   -1.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348   -0.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2326    0.0496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2326    0.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    1.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818    1.2871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2798   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0249   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -1.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449   -0.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    0.2384    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6124    1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3269    1.4759    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1963    1.6996    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  3   9  -1  18  -1  19   2
M  END
> <DATABASE_ID>
DBSALT001565

> <DATABASE_NAME>
drugbank

> <SMILES>
[Zn++].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]1CCC(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1

> <INCHI_KEY>
OWVLYQRCCIEOPF-QHTZZOMLSA-L

> <FORMULA>
C10H12N2O6Zn

> <MOLECULAR_WEIGHT>
321.59

> <EXACT_MASS>
319.998678

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
11.159990655506363

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion bis((2S)-5-oxopyrrolidine-2-carboxylate)

> <ALOGPS_LOGP>
-0.66

> <JCHEM_LOGP>
-0.8896697023333333

> <ALOGPS_LOGS>
-1.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.760445138872075

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.613354339229633

> <JCHEM_PKA_STRONGEST_BASIC>
-2.2244398721602416

> <JCHEM_POLAR_SURFACE_AREA>
69.23

> <JCHEM_REFRACTIVITY>
38.9249

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.21e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion bis(5-oxo-L-prolinate)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001565

> <NAME>
Zinc pidolate

> <DRUG_DRUGBANK_ID>
DB03088

> <DRUG_NAME>
Pidolic acid

> <CAS_NUMBER>
15454-75-8

> <UNII>
C32PQ86DH4

$$$$