UCSF

ZINC04691437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 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) 4.87 11.68 -10.71 1 4 0 43 379.678 2
Mid Mid (pH 6-8) 5.05 11.53 -29.65 2 4 1 48 380.686 2
Lo Low (pH 4.5-6) 5.05 11.13 -41.38 2 4 1 47 380.686 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50606-1-O Hepatitis B Virus (cluster #1 Of 3), Other Other 4700 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50606 Z50606 Hepatitis B Virus 4700 0.31 Functional ≤ 10μM

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