UCSF

ZINC43915374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 Yes

Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-methoxyethyl)-N,N'-dimethyl-ethane-1,2-diamine (1R)-1-(2,3-dihydro-1,4-benzodio…

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) 1.20 4.39 -35.47 2 5 1 44 281.376 7 ↓
Mid Mid (pH 6-8) 1.20 5.61 -114.44 3 5 2 49 282.384 7 ↓

Activity (Go SEA)

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