UCSF

ZINC01697410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 3-Methyl-1-phenylbutan-1-one 3-Methyl-1-phenylbutan-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 582-62-7 , [582-62-7]

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) 3.11 2.22 -5.88 0 1 0 17 162.232 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 236 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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