UCSF

ZINC06001877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 26 Yes

CAS Numbers: 133-04-0 , 607-80-7

Other Names:

asarinin

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) 3.69 -2.05 -10.09 0 6 0 55 354.358 2

Vendor Notes

Note Type Comments Provided By
Target Heparin-binding growth factor 2(P09038)&Tumor necrosis factor(P01375) Herbal Ingredients Targets
Target NADPH oxidase 3(Q9HBY0)&NADPH oxidase 1(Q9Y5S8)&UDP-glucuronosyltransferase 1-1(P22309)&Cytochrome P450 2B6(P20813)&G1/S-specific cyclin-D1(P24385)&Nitric oxide synthase, endothelial(P29474)&Endothelin-converting enzyme 1(P42892)&Nitric oxide synthase, in Herbal Ingredients Targets

Activity (Go SEA)

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