UCSF

ZINC69521188

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 21 Yes

Popular Name: 2-[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone 2-[(2R)-2-(1,3-dioxolan-2-yl)-1-…

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) 0.60 4.87 -34.97 1 6 1 52 299.391 3 ↓
Mid Mid (pH 6-8) 0.60 2.9 -10.07 0 6 0 51 298.383 3 ↓

Activity (Go SEA)

Rings

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

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