UCSF

ZINC67239813

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 23 Yes

Popular Name: N-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]-N-ethyl-ethanamine N-[[6-(1,3-benzodioxol-5-yl)-[1,…

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) 2.63 8.08 -38.51 1 7 1 66 332.409 5 ↓
Mid Mid (pH 6-8) 2.63 5.65 -10.09 0 7 0 65 331.401 5 ↓

Activity (Go SEA)

Rings

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

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