UCSF

ZINC06524602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 12 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) 3.95 -2.6 -4.63 1 2 0 28 310.376 0

Vendor Notes

Note Type Comments Provided By
melting_point 2.220000000000000e+002 - 2.240000000000000e+002 KeyOrganics
melting_point 222 - 224 KeyOrganics
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50530-3-O Human Herpesvirus 5 (cluster #3 Of 5), Other Other 8500 0.59 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 8500 0.59 Functional ≤ 10μM

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