UCSF

ZINC48797143

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 Yes

Popular Name: 2-[[[(8R)-8-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methylamino]methyl]-6-bromo-phenol 2-[[[(8R)-8-bicyclo[4.2.0]octa-1…

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) 3.58 6.06 -5.73 2 2 0 32 318.214 4 ↓
Hi High (pH 8-9.5) 3.58 6.82 -40.45 1 2 -1 35 317.206 4 ↓
Hi High (pH 8-9.5) 3.58 8.21 -31.78 2 2 0 40 318.214 4 ↓
Mid Mid (pH 6-8) 3.58 7.46 -45.65 3 2 1 37 319.222 4 ↓

Activity (Go SEA)

Rings

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

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