UCSF

ZINC22721108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 Yes

Popular Name: N-(1,3-benzodioxol-5-yl)-2-[[6-[(4-methoxyphenyl)methyl]-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triaz N-(1,3-benzodioxol-5-yl)-2-[[6-[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.39 6.63 -25.2 3 11 0 136 466.479 6 ↓
Mid Mid (pH 6-8) 2.39 6.63 -39.22 3 11 0 135 466.479 6 ↓
Mid Mid (pH 6-8) 2.39 6.47 -52.67 2 11 -1 134 465.471 6 ↓

Activity (Go SEA)

Rings

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

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