Mrv1909 07102021182D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
DB14577

> <DATABASE_NAME>
drugbank

> <SMILES>
[Ca++]

> <INCHI_IDENTIFIER>
InChI=1S/Ca/q+2

> <INCHI_KEY>
BHPQYMZQTOCNFJ-UHFFFAOYSA-N

> <FORMULA>
Ca

> <MOLECULAR_WEIGHT>
40.078

> <EXACT_MASS>
39.962591155

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium(2+) ion

> <JCHEM_LOGP>
-0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
ergosterol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14577

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Calcium cation

> <SYNONYMS>
Calcium (2+); Calcium ions; calcium(2+) ion; Calcium(2+)ions

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