UCSF

ZINC62962812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 No

Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-(8-azaspiro[4.5]decan-8-…

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) 0.62 0.62 -9.9 2 4 0 63 286.441 2 ↓
Mid Mid (pH 6-8) 0.62 1.43 -62.11 3 4 1 65 287.449 2 ↓
Mid Mid (pH 6-8) 0.62 2.7 -44.5 3 4 1 65 287.449 2 ↓
Lo Low (pH 4.5-6) 0.62 3.13 -150.66 4 4 2 66 288.457 2 ↓

Activity (Go SEA)

Rings

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

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