UCSF

ZINC04098248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 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) 2.81 2.76 -11.58 1 5 0 80 308.374 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80071-1-O CEM-0 (T-cell Leukemia) (cluster #1 Of 2), Other Other 1610 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80071 Z80071 CEM-0 (T-cell Leukemia) 1610 0.37 Functional ≤ 10μM

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