UCSF

ZINC22721004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 Yes

Popular Name: N-(1,3-benzodioxol-5-yl)-2-[[7-oxo-6-(p-tolylmethyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]su N-(1,3-benzodioxol-5-yl)-2-[[7-o…

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) 2.78 8 -24.41 3 10 0 126 450.48 5 ↓
Ref Reference (pH 7) 3.69 7.55 -49.67 1 10 -1 127 449.472 6 ↓
Mid Mid (pH 6-8) 2.78 8 -38.59 3 10 0 126 450.48 5 ↓
Mid Mid (pH 6-8) 2.78 7.84 -53.03 2 10 -1 125 449.472 5 ↓

Activity (Go SEA)

Rings

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

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