BDBM36300 4-iodophenol

SMILES Oc1ccc(I)cc1

InChI Key InChIKey=VSMDINRNYYEDRN-UHFFFAOYSA-N

Data  2 ITC

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 36300   

HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36300(4-iodophenol)
ITC DataΔG°: -5.61kcal/mole logk: 1.30E+4
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of Cambridge

GuestPNGBDBM36300(4-iodophenol)
ITC DataΔG°: -5.02kcal/mole −TΔS°: 5.98kcal/mole ΔH°: -11.0kcal/mole logk: 4.10E+3
pH: 7.0 T: 25.00°C