UCSF

ZINC22039955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 5.11 13.29 -119.34 2 2 2 9 332.576 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80295-1-O MT4 (Lymphocytes) (cluster #1 Of 8), Other Other 3600 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80295 Z80295 MT4 (Lymphocytes) 3600 0.32 Functional ≤ 10μM

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