UCSF

ZINC00184531

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 14 Yes

Popular Name: 4'-Bromo-3-(dimethylamino)propiophenone hydrochloride; LS-125066; NSC 403721; Propiophenone, 4'-bromo-3-(dimethylamino)-, monohydrochloride 4'-Bromo-3-(dimethylamino)propio…

Find On: PubMed — Wikipedia — Google

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) 2.57 7.67 -42.88 1 2 1 22 257.151 4 ↓
Hi High (pH 8-9.5) 2.57 5.19 -5.54 0 2 0 20 256.143 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0374849A2 IBM Patent Data

Activity (Go SEA)

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