UCSF

ZINC69918933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: [(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [(3R)-3-(2-methylimidazol-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) 0.16 6 -47.44 1 7 1 78 326.38 2 ↓
Mid Mid (pH 6-8) 0.16 5.52 -17.65 0 7 0 77 325.372 2 ↓

Activity (Go SEA)

Rings

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

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