UCSF

ZINC62808761

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 16 Yes

Popular Name: 2-[2-(3-hydroxyazetidin-1-yl)-2-oxo-ethyl]-1H-pyridazine-3,6-dione 2-[2-(3-hydroxyazetidin-1-yl)-2-…

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) -1.39 -4.39 -51.04 1 7 -1 98 224.196 2 ↓
Lo Low (pH 4.5-6) -1.39 -5.11 -16.98 2 7 0 96 225.204 2 ↓

Activity (Go SEA)

Rings

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

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