UCSF

ZINC36533492

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 11 Yes

Popular Name: 6-Bromo-3(2H)-benzofuranone 6-Bromo-3(2H)-benzofuranone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 201809-69-0 , 3260-78-4 , [201809-69-0]

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) 2.12 4.11 -4.76 0 2 0 26 213.03 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0912175A1; US5854245; WO1998000134A1 IBM Patent Data

Activity (Go SEA)

Rings

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