UCSF

ZINC03634047

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 28 Yes

Popular Name: Ethylamine, 2,2'-(1,2-dimethylethylenebis(p-phenyleneoxy))bis(N,N-dimethyl-, meso-; LS-68114; meso-2,2'-(1,2-Dimethylethylenebis(p-phenyleneoxy))bis(N,N-dimethylethylamine) Ethylamine, 2,2'-(1,2-dimethylet…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.69 13.77 -73.64 2 4 2 27 386.58 11 ↓
Hi High (pH 8-9.5) 5.69 11.22 -37.13 1 4 1 26 385.572 11 ↓
Hi High (pH 8-9.5) 5.69 8.7 -6.2 0 4 0 25 384.564 11 ↓

Activity (Go SEA)

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