e-Drug3D
37
DIMERCAPROL
INN
DIMERCAPROL
cas 59-52-9
CLASS
VARIOUS
CHELATING AGENT (AS, AU, HG ANTIDOTE) IN ACUTE POISONING
ROUTE (list)
INJECTION
ATC code
V03AB09
PK parameters
-
PDB
5ZJ8 (CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY32)
Ligand code = 9DC (link to the list of PDB complexes)
Download experimental 3D coordinates of 9DC with added hydrogens
Unknown
Formula:
C3H8OS2
Calculated chemical properties:
MW 124.23
NB_atoms 6
XLogP 0.21
PSA 20.714
NB_HD 1
NB_HA 1
fsp3 1.00
Lipinski(0=no;1=yes) 1
NB_atoms 6
XLogP 0.21
PSA 20.714
NB_HD 1
NB_HA 1
fsp3 1.00
Lipinski(0=no;1=yes) 1