UCSF

ZINC08681492

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 41 No

CAS Number: 4670-05-7

Other Names:

THEAFLAVIN

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) 2.35 -15.02 -27.31 9 12 0 217 564.499 2

Vendor Notes

Note Type Comments Provided By
therap antioxidant MicroSource Spectrum

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.