Mrv1718007091815502D          

 15 12  0  0  0  0            999 V2000
    0.0000    0.2078    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    0.7128    0.6172    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7128    0.6172    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4257   -0.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4257   -0.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    0.2078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581    0.2078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1452    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257    0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4257    0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003    0.4653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   -0.3069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003    0.4653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581   -0.3069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
DB14493

> <DATABASE_NAME>
drugbank

> <SMILES>
[Zn++].[H]N([H])CC([O-])=O.[H]N([H])CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H5NO2.Zn/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2

> <INCHI_KEY>
UOXSXMSTSYWNMH-UHFFFAOYSA-L

> <FORMULA>
C4H8N2O4Zn

> <MOLECULAR_WEIGHT>
213.5

> <EXACT_MASS>
211.977549

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
6.246812439585678

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) bis(2-aminoacetate)

> <ALOGPS_LOGP>
-1.46

> <JCHEM_LOGP>
-3.409459573132419

> <ALOGPS_LOGS>
-0.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3074568824727444

> <JCHEM_PKA_STRONGEST_BASIC>
9.240341660583645

> <JCHEM_POLAR_SURFACE_AREA>
66.14999999999999

> <JCHEM_REFRACTIVITY>
26.840500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.94e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) diaminoacetate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14493

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Zinc glycinate

> <SYNONYMS>
Zinc bisglycinate; Zinc(II) glycinate

> <PRODUCTS>
BumP DHA; Corvite FE; FeRiva 21 7; Folet DHA; MaxFe; Nicomide; Prena1 Plus; vitaMedMD Rx Plus

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