UCSF

ZINC67562064

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 27 Yes

Popular Name: 4-[2-oxo-2-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione 4-[2-oxo-2-[(4R)-spiro[azepane-4…

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) 2.21 3.71 -48.7 1 7 -1 98 366.397 2 ↓
Mid Mid (pH 6-8) 2.21 3.65 -48.82 1 7 -1 98 366.397 2 ↓
Lo Low (pH 4.5-6) 2.21 2.98 -15.54 2 7 0 96 367.405 2 ↓

Activity (Go SEA)

Rings

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

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