UCSF

ZINC09560099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 29 Yes

Popular Name: N-benzo[1,3]dioxol-5-yl-2-[[4-(2-methoxyethyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,1 N-benzo[1,3]dioxol-5-yl-2-[[4-(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) 2.35 -2.83 -22.5 1 8 0 91 435.527 7 ↓

Activity (Go SEA)

Rings

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