UCSF

ZINC12539192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 Yes

Popular Name: 6-[5-(4-fluorophenyl)-1-isobutyl-imidazol-2-yl]sulfanyltetrazolo[5,1-f]pyridazine 6-[5-(4-fluorophenyl)-1-isobutyl…

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) 3.87 9.85 -19.56 0 7 0 74 369.429 5 ↓
Mid Mid (pH 6-8) 3.87 10.11 -39.74 1 7 1 75 370.437 5 ↓

Activity (Go SEA)

Rings

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

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