UCSF

ZINC03978987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 29 Yes

Popular Name: deguelin deguelin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 522-17-8 , CAS# 522-17-8

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) 3.58 8.7 -12.27 0 6 0 63 394.423 2 ↓

Vendor Notes

Note Type Comments Provided By
therap antineoplastic, antiviral, insecticide MicroSource Spectrum
PUBCHEM_PATENT_ID US4033747; US4690775; US4698222; WO1999063818A1 IBM Patent Data

Activity (Go SEA)

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