UCSF

ZINC41652200

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Popular Name: 5-bromo-1-[2-(2-pyridyl)ethyl]indoline-2,3-dione 5-bromo-1-[2-(2-pyridyl)ethyl]in…

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) 2.32 7.54 -8.93 0 4 0 52 331.169 3 ↓
Lo Low (pH 4.5-6) 2.32 7.89 -43.66 1 4 1 53 332.177 3 ↓

Activity (Go SEA)

Rings

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