UCSF

ZINC33819148

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 24 Yes

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) 2.04 5.05 -13.78 2 5 0 71 321.38 3
Lo Low (pH 4.5-6) 2.04 5.88 -30.64 3 5 1 72 322.388 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50678-2-O Respiratory Syncytial Virus (cluster #2 Of 2), Other Other 9500 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50678 Z50678 Respiratory Syncytial Virus 9500 0.29 Functional ≤ 10μM

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