UCSF

ZINC26490873

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) -1.54 0.62 -63.7 5 9 1 133 331.374 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80295-2-O MT4 (Lymphocytes) (cluster #2 Of 8), Other Other 300 0.42 Functional ≤ 10μM
Z81020-1-O HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other Other 500 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 500 0.40 Functional ≤ 10μM
Z80295 Z80295 MT4 (Lymphocytes) 300 0.42 Functional ≤ 10μM

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