UCSF

ZINC01565063

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 22 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) 3.29 -1.42 -53.39 2 4 1 44 296.346 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80687-1-O B-cells (cluster #1 Of 2), Other Other 8100 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80687 Z80687 B-cells 8100 0.32 Functional ≤ 10μM

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