UCSF

ZINC62952726

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-bromo-2-furyl)ethanamine (2R)-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) 2.81 7.23 -123.97 4 3 2 45 329.282 3 ↓
Mid Mid (pH 6-8) 2.81 6.89 -31.7 3 3 1 44 328.274 3 ↓
Mid Mid (pH 6-8) 2.81 5.47 -46.99 3 3 1 44 328.274 3 ↓

Activity (Go SEA)

Rings

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

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