UCSF

ZINC04692031

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 28 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) 3.11 -2.28 -13 3 6 0 88 382.412 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 8800 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0_9POXV Q49PX0 N1L, 9poxv 8800 0.25 Binding ≤ 10μM

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