UCSF

ZINC01613983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 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) 3.33 3.14 -36.94 1 2 1 21 246.374 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80362-7-O P388 (Lymphoma Cells) (cluster #7 Of 8), Other Other 1100 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80362 Z80362 P388 (Lymphoma Cells) 1100 0.46 Functional ≤ 10μM

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