UCSF

ZINC33829313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 22 No

Popular Name: 1,3-Butanedione, 2-bromo-1-(2-phenyl-1H-indol-3-yl)-; 1H-Indole, 3-(2-bromo-1,3-dioxobutyl)-2-phenyl-; 2-Bromo-1-(2-phenyl-1H-indol-3-yl)-1,3-butanedione; BRN 1487004; LS-45865; Phenyl-2 (bromo-2' acetoacetyl)-3 indole [French] 1,3-Butanedione, 2-bromo-1-(2-ph…

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) 4.31 8.01 -48.07 1 3 -1 56 355.211 3 ↓
Lo Low (pH 4.5-6) 3.55 9.77 -9.04 1 3 0 50 356.219 4 ↓

Activity (Go SEA)

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