UCSF

ZINC69919232

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

Popular Name: [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone [4-[(2S)-2-hydroxybutyl]piperazi…

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) 1.22 4.68 -49.28 2 6 1 71 318.397 4 ↓
Mid Mid (pH 6-8) 1.22 2.41 -11.61 1 6 0 70 317.389 4 ↓

Activity (Go SEA)

Rings

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

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