UCSF

ZINC67902505

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 43 No

Popular Name: hesperidin hesperidin

Find On: PubMed — Wikipedia — Google

CAS Number: 520-26-3

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) -0.55 -8.61 -19.61 8 15 0 234 610.565 7 ↓
Hi High (pH 8-9.5) -0.55 -7.61 -64.22 7 15 -1 237 609.557 7 ↓

Vendor Notes

Note Type Comments Provided By
Target Transcription factor p65(Q04206)&NAD-dependent deacetylase sirtuin-1(Q96EB6)&RAC-alpha serine/threonine-protein kinase(P31749)&Protein kinase C beta type(P05771)&Cellular tumor antigen p53(P04637)&Syndecan-3(O75056) Herbal Ingredients Targets

Activity (Go SEA)

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

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