UCSF

ZINC33824220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 No

Popular Name: 2,2'-(((2-Ethoxy-5-nitrophenyl)methyl)imino)bisethanol; Bis(2-hydroxyethyl)aminomethyl-4-ethoxynitrobenzene; Ethanol, 2,2'-(((2-ethoxy-5-nitrophenyl)methyl)imino)bis-; LS-66755 2,2'-(((2-Ethoxy-5-nitrophenyl)m…

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) 0.80 2.38 -40.12 3 7 1 100 285.32 9 ↓
Mid Mid (pH 6-8) 0.80 -0.01 -9.77 2 7 0 99 284.312 9 ↓

Activity (Go SEA)

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