UCSF

ZINC61380874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 17 Yes

Popular Name: (1R,5S)-8-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-one (1R,5S)-8-[2-[2-methoxyethyl(met…

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) 0.31 4.14 -42.07 1 4 1 34 241.355 6 ↓
Hi High (pH 8-9.5) 0.31 1.73 -5.6 0 4 0 33 240.347 6 ↓
Mid Mid (pH 6-8) 0.31 3.86 -41.04 1 4 1 34 241.355 6 ↓
Lo Low (pH 4.5-6) 0.31 6.28 -119.54 2 4 2 35 242.363 6 ↓

Activity (Go SEA)

Rings

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

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