UCSF

ZINC28338299

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 34 No

CAS Number: 133407-82-6

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) 6.29 9.17 -14.87 3 8 0 114 475.63 15

Vendor Notes

Note Type Comments Provided By
Notes Inhibits cell permeable calpain II Apollo Scientific Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100256-1-O Proteasome (cluster #1 Of 1), Other Other 68 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100256 Z100256 Proteasome 1400 0.24 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.