UCSF

ZINC59586166

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 25 No

CAS Number: 327-97-9

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) -0.45 -1.52 -53.92 5 9 -1 168 353.303 5

Vendor Notes

Note Type Comments Provided By
Target Tumor necrosis factor receptor superfamily member 1A(P19438)&Tumor necrosis factor receptor superfamily member 1B(P20333) Herbal Ingredients Targets

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

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