UCSF

ZINC05606416

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 11 Yes

Popular Name: 1-Phenyl-but-2-en-1-one 1-Phenyl-but-2-en-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 35845-66-0 , 495-41-0 , 6249-80-5 , [495-41-0]

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) 2.36 6.32 -6.95 0 1 0 17 146.189 2 ↓
Ref Reference (pH 7) 2.36 6.36 -6.17 0 1 0 17 146.189 2 ↓
Ref Reference (pH 7) 2.38 6.31 -6.86 0 1 0 17 146.189 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 122 / 12 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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