Mrv1909 10301919052D          

 13 11  0  0  1  0            999 V2000
    9.3962    2.9489    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9907    3.7041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9907    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7052    2.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2762    2.4668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2762    1.6419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5617    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    2.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4185    2.4668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    3.7041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894    2.4668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000869

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.N[C@@H](CCCNC(N)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1

> <INCHI_KEY>
KWTQSFXGGICVPE-WCCKRBBISA-N

> <FORMULA>
C6H15ClN4O2

> <MOLECULAR_WEIGHT>
210.662

> <EXACT_MASS>
210.088353451

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
17.798401753142922

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride

> <ALOGPS_LOGP>
-3.49

> <JCHEM_LOGP>
-3.1559373774200568

> <ALOGPS_LOGS>
-1.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.4118378885304885

> <JCHEM_PKA_STRONGEST_BASIC>
12.41100429474531

> <JCHEM_POLAR_SURFACE_AREA>
125.21999999999998

> <JCHEM_REFRACTIVITY>
53.9231

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.28e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tigecycline

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000869

> <NAME>
Arginine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00125

> <DRUG_NAME>
Arginine

> <CAS_NUMBER>
1119-34-2

> <UNII>
F7LTH1E20Y

$$$$