UCSF

ZINC43895858

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 Yes

Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1-ethylpropyl)-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

Annotations

None

Vendors

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) 2.96 7.63 -113.55 3 4 2 40 294.439 7 ↓
Mid Mid (pH 6-8) 2.96 7.87 -34.86 2 4 1 35 293.431 7 ↓

Activity (Go SEA)

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