UCSF

ZINC28247593

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 20 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) -2.04 -4.32 -31.34 5 9 0 139 285.235 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 8500 0.35 Functional ≤ 10μM
Z80687-1-O B-cells (cluster #1 Of 2), Other Other 750 0.43 Functional ≤ 10μM
Z81344-1-O Wild Type T- Cell Line (cluster #1 Of 1), Other Other 200 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80687 Z80687 B-cells 750 0.43 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 8500 0.35 Functional ≤ 10μM
Z81344 Z81344 Wild Type T- Cell Line 200 0.47 Functional ≤ 10μM

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