UCSF

ZINC04556486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 18 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) -2.54 -10.02 -19.03 4 8 0 124 258.23 3

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 8600 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80208 Z80208 L5178Y (Lymphoma Cells) 2 0.68 Functional ≤ 10μM

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