UCSF

ZINC13513730

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 Yes

CAS Number: 3681-99-0

Other Names:

"Puerarin, 98%"

Puerarin

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) 0.61 -3.88 -18.43 6 9 0 161 416.382 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0592583A1; US4906470; US4985408; US4985431; US4999343; US4999376; US5204369; US5523086; US5589182; US5624910; US5679806; US5783189; US5834000; US5834605; US5886028; US6121010; WO1999058124A1; WO1999061038A1; WO1999063995A1 IBM Patent Data

Activity (Go SEA)

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