UCSF

ZINC02169845

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 19 No

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) 0.79 0.12 -13.37 4 8 0 119 377.142 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0425680A1; EP0457326A1; EP0755255A1; EP0880353A1; US4485016; US5213972; US5405839; US5449664; US5728684; US5773424; US5998423; WO1996018398A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80208-1-O L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other Other 2000 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80208 Z80208 L5178Y (Lymphoma Cells) 2000 0.42 Functional ≤ 10μM

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