UCSF

ZINC22767807

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 Yes

Popular Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-(1,3-benzodioxol-5-ylmethylami…

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) 0.94 5.87 -12.32 1 8 0 87 340.339 3 ↓
Mid Mid (pH 6-8) -2.80 6.15 -48.73 2 8 1 89 341.347 3 ↓

Activity (Go SEA)

Rings

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

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