UCSF

ZINC95098857

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.62 11.69 -55.19 1 4 -1 77 469.686 1
Lo Low (pH 4.5-6) 5.62 9.71 -10.75 2 4 0 75 470.694 1

Vendor Notes

Note Type Comments Provided By
Target Phospholipase A2, membrane associated(P14555)&Interleukin-8(P10145)&Proteinase-activated receptor 3(O00254)&Myeloperoxidase(P05164)&Proto-oncogene c-Fos(P01100)&Prothrombin(P00734)&Vigilin(Q00341) Herbal Ingredients Targets

Activity (Go SEA)

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

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