UCSF

ZINC03629257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 21 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) 3.05 7.72 -10.23 3 4 0 64 298.777 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81338-1-O T-cells (cluster #1 Of 3), Other Other 2600 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81338 Z81338 T-cells 2600 0.37 Functional ≤ 10μM

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