UCSF

ZINC04689165

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) 10.76 0.9 -13.88 2 4 0 57 614.752 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 449-451? Alfa-Aesar
Melting_Point 449-451° Alfa-Aesar
Mp [°C] >300 Acros Organics
UniProt Database Links ACOA_BACSU; ACOB_BACSU; ACOB_CUPNH; CAYP1_CANFA; CHDH_AZOSP; COMDE_METAC; COME_METJA; COME_METTH; DCIP_AZOBR; DCIP_ENTCL; GCL_ECO57; GCL_ECOLI; GOB1_BRUMA; GOB1_CAEBR; GOB1_CAEEL; HACL1_DICDI; HACL1_HUMAN; HACL1_MOUSE; HACL1_RAT; HACL_ARATH; HACL_ORYSJ; I ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81138-1-O ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #1 Of 3), Other Other 10 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81138 Z81138 ScN2a (Scrapie-infected Neuroblastoma Cells) 10 0.23 Functional ≤ 10μM

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