UCSF

ZINC49548197

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 Yes

Popular Name: 3-[2-(4-isobutylpiperazin-1-yl)-2-oxo-ethyl]-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazole-2,5-dione 3-[2-(4-isobutylpiperazin-1-yl)-…

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) 0.87 6.99 -23.98 0 9 0 84 398.467 5 ↓
Mid Mid (pH 6-8) 0.87 8.9 -56.75 1 9 1 85 399.475 5 ↓

Activity (Go SEA)

Rings

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

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