UCSF

ZINC62952025

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(2-thienyl)ethanamine (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) 2.51 6.03 -39.43 3 2 1 31 265.446 3 ↓
Hi High (pH 8-9.5) 2.51 4.62 -1.69 2 2 0 29 264.438 3 ↓
Mid Mid (pH 6-8) 2.51 6.82 -29.2 3 2 1 30 265.446 3 ↓
Mid Mid (pH 6-8) 2.51 7.48 -118.16 4 2 2 32 266.454 3 ↓

Activity (Go SEA)

Rings

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

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