UCSF

ZINC02037267

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 No

Popular Name: 3,5,5-Trimethylhexanal 3,5,5-Trimethylhexanal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5435-64-3 , [5435-64-3]

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) 3.12 2.86 -4.58 0 1 0 17 142.242 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 167 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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