compound 51 [PMID: 18800762]

Ligand id: 3186

Name: compound 51 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 5
Topological polar surface area 216.81
Molecular weight 263.01
XLogP -4.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2-carbamimidamido-1-hydroxy-1-phosphonoethyl)phosphonic acid
Synonyms
bisphosphonate, 51
Database Links
ChEMBL Ligand CHEMBL1162303
PubChem CID 25023896
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Search UniChem for chemical match using the InChIKey ZZHOMRYFXNLXOZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZZHOMRYFXNLXOZ