UCSF

ZINC40957496

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 37 No

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

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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) -1.77 1.7 -151.85 14 12 3 223 521.687 20 ↓

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 49 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
POLG_WNV P06935 Genome Polyprotein, Wnv 271 0.25 Binding ≤ 1μM
POLG_WNV P06935 Genome Polyprotein, Wnv 271 0.25 Binding ≤ 10μM

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