UCSF

ZINC44699914

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 No

CAS Numbers: 10338-51-9 , [10338-51-9]

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) -0.70 -5.11 -10.76 5 7 0 120 300.307 5

Vendor Notes

Note Type Comments Provided By
Target Caspase-8(Q14790)&NF-kappa-B essential modulator(Q9Y6K9)&Nitric oxide synthase, inducible(P35228)&Tumor necrosis factor(P01375) Herbal Ingredients Targets

Activity (Go SEA)

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