UCSF

ZINC20840621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 20 Yes

Popular Name: N-(4-Aminobutyl)-N-ethylisoluminol N-(4-Aminobutyl)-N-ethylisoluminol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 66612-29-1 , [66612-29-1]

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) 0.89 0.85 -80.09 4 6 0 100 276.34 6 ↓
Lo Low (pH 4.5-6) 0.89 -0.26 -57.11 5 6 1 97 277.348 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.