UCSF

ZINC62958646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: [(2R,5R)-5-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-(8-azaspiro[4.5]decan…

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) 1.39 6.09 -97.35 4 3 2 41 254.418 3 ↓
Hi High (pH 8-9.5) 1.39 3.79 -38.27 3 3 1 40 253.41 3 ↓

Activity (Go SEA)

Rings

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

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