UCSF

ZINC05982188

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 14 No

Popular Name: 5-bromo-1-methyl-1H-indole-2,3-dione 3-oxime 5-bromo-1-methyl-1H-indole-2,3-d…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD00456307

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) 2.08 3.22 -10.31 1 4 0 55 255.071 0 ↓
Ref Reference (pH 7) 2.08 2.52 -9.6 1 4 0 55 255.071 0 ↓
Hi High (pH 8-9.5) 2.08 3.52 -51.94 0 4 -1 57 254.063 0 ↓
Hi High (pH 8-9.5) 2.08 4.34 -57.16 0 4 -1 57 254.063 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0432648B1; US5198461 IBM Patent Data

Activity (Go SEA)

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