UCSF

ZINC02145673

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 Yes

Popular Name: 2,2-Dimethylbutyrophenone 2,2-Dimethylbutyrophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 829-10-7 , [829-10-7]

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) 3.50 2.69 -6.63 0 1 0 17 176.259 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0703221A1; EP0733365A2; EP0733365A3 IBM Patent Data

Activity (Go SEA)

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