UCSF

ZINC33963966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 41 No

Other Names:

Theaflavin;Theaflavine

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) 2.58 -6.6 -24.56 9 12 0 218 564.499 2
Mid Mid (pH 6-8) 2.58 -5.77 -71.79 8 12 -1 220 563.491 2

Activity (Go SEA)

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

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