UCSF

ZINC41588945

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: (7Z)-3-(1,3-benzodioxol-5-ylmethyl)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-9-methyl-2,4-dih (7Z)-3-(1,3-benzodioxol-5-ylmeth…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.91 8.57 -14.11 0 8 0 80 519.937 3 ↓
Lo Low (pH 4.5-6) 4.91 11.44 -60.15 1 8 1 81 520.945 3 ↓

Activity (Go SEA)

Rings

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

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