UCSF

ZINC66074728

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 30 No

Popular Name: (2E)-5-ethoxy-2-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-4,6,6-tripropyl-cyclohex-4-ene-1,3-dione (2E)-5-ethoxy-2-[(E)-1-hydroxy-3…

Find On: PubMed — Wikipedia — Google

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) 6.49 14.54 -52.7 0 4 -1 66 409.546 11 ↓
Lo Low (pH 4.5-6) 5.90 13.76 -8.69 0 4 0 60 410.554 11 ↓

Activity (Go SEA)

Rings

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

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