UCSF

ZINC55080028

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 Yes

Popular Name: [2-(4-isobutylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol [2-(4-isobutylpiperazin-1-yl)imi…

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) 2.12 7.54 -37.97 2 5 1 45 289.403 4 ↓
Hi High (pH 8-9.5) 2.12 5.61 -11.48 1 5 0 44 288.395 4 ↓
Lo Low (pH 4.5-6) 2.12 8.02 -81.83 3 5 2 46 290.411 4 ↓

Activity (Go SEA)

Rings

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

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