UCSF

ZINC01675992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) 4.24 -3.21 -5.93 3 4 0 63 289.553 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRIM-1-V DNA Helicase/primase Complex Protein (cluster #1 Of 1), Viral Viruses 8700 0.42 Binding ≤ 10μM
Z50530-3-O Human Herpesvirus 5 (cluster #3 Of 5), Other Other 9100 0.42 Functional ≤ 10μM
Z80942-1-O HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other Other 9100 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRIM_HHV11 P10236 DNA Helicase/primase Complex Protein, Hhv11 8700 0.42 Binding ≤ 10μM
Z80942 Z80942 HEL (Embryonic Lung Cells) 9100 0.42 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 9100 0.42 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.