UCSF

ZINC12341708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2008 18 No

Popular Name: Parthenolide Parthenolide

Find On: PubMed — Wikipedia — Google

CAS Number: 20554-84-1

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) 2.09 6.55 -12.36 0 3 0 39 248.322 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0098041A2; EP0553658B1; EP0565578A1; EP0614459A1; EP0805680A2; EP1053246A1; US4758433; US5384121; US5466451; US5795909; US5905089; US6068999; US6103218; US6117896; WO1992011857A1; WO1994006800A1; WO1996022774A2; WO1997039355A1; WO1998005333A1; WO1998027 IBM Patent Data

Activity (Go SEA)

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