UCSF

ZINC05933287

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 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) 6.03 10.9 -6.41 0 2 0 18 346.044 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80076-1-O CEM-SS (T-cell Leukemia) (cluster #1 Of 5), Other Other 9100 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80076 Z80076 CEM-SS (T-cell Leukemia) 9100 0.35 Functional ≤ 10μM

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