UCSF

ZINC42607151

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 Yes

Popular Name: (1R)-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)-N'-[(1S)-2-methoxy-1-methyl-ethyl]ethane-1,2-diamine (1R)-1-(3,4-dimethylphenyl)-N'-(…

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) 0.58 4.93 -40.21 3 4 1 49 295.447 9 ↓
Hi High (pH 8-9.5) 0.58 4.44 -3.3 2 4 0 48 294.439 9 ↓
Lo Low (pH 4.5-6) 0.58 6.34 -113.26 4 4 2 51 296.455 9 ↓

Activity (Go SEA)

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