UCSF

ZINC62959993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-ylmethyl)morpholine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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) 1.50 4.82 -32.68 2 3 1 26 239.383 2 ↓
Hi High (pH 8-9.5) 1.50 2.5 -2.54 1 3 0 24 238.375 2 ↓
Mid Mid (pH 6-8) 1.50 3.87 -40.3 2 3 1 29 239.383 2 ↓
Lo Low (pH 4.5-6) 1.50 6.19 -101.65 3 3 2 30 240.391 2 ↓

Activity (Go SEA)

Rings

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

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