BDBM36298 2-cyanophenol

SMILES Oc1ccccc1C#N

InChI Key InChIKey=CHZCERSEMVWNHL-UHFFFAOYSA-N

Data  1 ITC

PDB links: 4 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 1 hit for monomerid = 36298   

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

GuestPNGBDBM36298(2-cyanophenol)
ITC DataΔG°: -4.48kcal/mole logk: 1.90E+3
pH: 7.0 T: 25.00°C