UCSF

ZINC20027322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 35 Yes

Other Names:

MFCD01166538

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.33 14.88 -9.89 0 6 0 50 481.003 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50665-1-O Enterovirus (cluster #1 Of 1), Other Other 1970 0.23 Functional ≤ 10μM
Z50666-1-O Coxsackievirus (cluster #1 Of 1), Other Other 260 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50666 Z50666 Coxsackievirus 260 0.26 Functional ≤ 10μM
Z50665 Z50665 Enterovirus 1970 0.23 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )