UCSF

ZINC00899897

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 31 No

CAS Number: 572-03-2

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) 5.24 7.23 -14.93 3 6 0 100 420.461 3

Vendor Notes

Note Type Comments Provided By
Therapy antioxidant SMDC MicroSource
PUBCHEM_PATENT_ID EP0742012A2; WO2000045165A1 IBM Patent Data

Activity (Go SEA)

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