UCSF

ZINC05998211

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 21 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) -1.40 -9.74 -22.07 5 10 0 148 297.271 3

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
UniProt Database Links MRM1_SCHPO; MRM1_YEAST; PET56_LACK1 ChEBI
Patent Database Links US2007265224 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8-1-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 1), Viral Viruses 1600 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 1600 0.39 Functional ≤ 10μM

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