UCSF

ZINC09708634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 25 Yes

Popular Name: (4-bromophenyl)methyl-trimethyl-BLAHdione (4-bromophenyl)methyl-trimethyl-…

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) 3.31 -0.73 -9.98 0 7 0 74 403.236 2 ↓
Mid Mid (pH 6-8) 3.31 0.14 -33.15 1 7 1 75 404.244 2 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.