UCSF

ZINC24820959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 32 No

Popular Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-amino]-N-[(3R)-1,1-dioxothiolan-3-y 2-[[2-(2,3-dihydro-1,4-benzodiox…

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) 1.48 5.9 -65.19 2 9 1 106 468.596 9 ↓
Hi High (pH 8-9.5) 1.48 3.75 -35.72 1 9 0 105 467.588 9 ↓

Activity (Go SEA)

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