UCSF

ZINC02579938

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: 5-(4-Ethylphenyl)-5-oxovaleric acid 5-(4-Ethylphenyl)-5-oxovaleric acid

Find On: PubMed — Wikipedia — Google

CAS Number: 34670-04-7

Other Names:

MFCD02260945

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) 2.67 1.78 -53.26 0 3 -1 57 219.26 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 100-102° Oakwood Chemical
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5082588; US5354496; US5354499; US5443753; US5595683; US5833877; US6126855 IBM Patent Data

Activity (Go SEA)

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