UCSF

ZINC40917529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 35 No

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) 2.24 6.43 -22.03 3 9 0 123 477.517 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50746-2-O Human Enterovirus 71 (cluster #2 Of 2), Other Other 160 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50746 Z50746 Human Enterovirus 71 160 0.27 Functional ≤ 10μM

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