UCSF

ZINC95098795

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 43 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) -4.83 -10.76 -25.87 9 16 0 292 611.529 7
Mid Mid (pH 6-8) -4.83 -11.45 -29.88 10 16 0 289 612.537 7

Vendor Notes

Note Type Comments Provided By
Target Prostaglandin G/H synthase 2(P35354)&Vascular endothelial growth factor A(P15692)&Matrix metalloproteinase-9(P14780)&Cytochrome P450 19A1(P11511) Herbal Ingredients Targets

Activity (Go SEA)

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

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