UCSF

ZINC09421987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 24 Yes

Popular Name: 2-(2,5-difluorophenyl)-7-[2-(3-pyridyl)vinyl]-6-thia-1,3,4,8-tetrazabicyclo[3.3.0]octa-2,4,7-triene 2-(2,5-difluorophenyl)-7-[2-(3-p…

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) 3.23 2.39 -14.52 0 5 0 55 341.346 3 ↓
Lo Low (pH 4.5-6) 3.23 2.5 -52.78 1 5 1 57 342.354 3 ↓

Activity (Go SEA)

Rings

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

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