UCSF

ZINC09422034

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 28 No

Popular Name: 6-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]oct-7-en 6-(4-fluorophenyl)-7-[2-(4-metho…

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) 3.60 -4.92 -15.9 0 5 0 58 420.531 6 ↓

Activity (Go SEA)

Rings

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

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