UCSF

ZINC85649487

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2013 40 Yes

CAS Number: 7235-40-7

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) 10.00 26.03 0.86 0 0 0 0 559.064 19

Vendor Notes

Note Type Comments Provided By
Target Interleukin-1 beta(P01584)&Interleukin-6(P05231)&Cyclic AMP-responsive element-binding protein 1(P16220)&Activator of 90 kDa heat shock protein ATPase homolog 1(O95433)&Tumor necrosis factor(P01375)&Matrix metalloproteinase-9(P14780)&Cyclin-dependent kina Herbal Ingredients Targets

Activity (Go SEA)

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

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