UCSF

ZINC43981026

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-1-(4-ethoxyphenyl)-N'-ethyl-N'-[(1S)-2-methoxy-1-methyl-ethyl]-N-methyl-ethane-1,2-diamine (1S)-1-(4-ethoxyphenyl)-N'-ethyl…

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) 2.83 6.37 -38.33 2 4 1 38 295.447 10 ↓
Hi High (pH 8-9.5) 2.83 4.71 -3.18 1 4 0 34 294.439 10 ↓
Mid Mid (pH 6-8) 2.83 5.65 -34.11 2 4 1 35 295.447 10 ↓

Activity (Go SEA)

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