UCSF

ZINC70450846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 41 Yes

CAS Number: 472-70-8

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) 9.64 22.31 -4.39 1 1 0 20 552.887 10

Vendor Notes

Note Type Comments Provided By
Target Baculoviral IAP repeat-containing protein 5(O15392)&G1/S-specific cyclin-D1(P24385)&Prostaglandin G/H synthase 2(P35354)&Matrix metalloproteinase-9(P14780)&Vascular endothelial growth factor A(P15692) Herbal Ingredients Targets

Activity (Go SEA)

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

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