UCSF

ZINC28338299

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Substance Information

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

Popular Name: Store at -20°C Store at -20°C

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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.