UCSF

ZINC28567753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 47 No

Popular Name: N-[(1R)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-formyl-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]c N-[(1R)-1-[[(1S)-5-amino-1-[[(1S…

Find On: PubMed — Wikipedia — Google

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) -1.44 3.67 -148.96 17 16 3 293 662.861 24 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
POLG-3-V Genome Polyprotein (cluster #3 Of 3), Viral Viruses 9400 0.15 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
POLG_DEN26 P29990 Dengue Virus Type 2 NS3 Protein, Den26 9400 0.15 Binding ≤ 10μM

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