UCSF

ZINC69138779

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-thian-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) 0.89 2.02 -51.67 3 4 1 65 301.476 2 ↓
Mid Mid (pH 6-8) 0.89 3.73 -140.61 4 4 2 66 302.484 2 ↓
Mid Mid (pH 6-8) 0.89 1.61 -8.5 2 4 0 63 300.468 2 ↓
Mid Mid (pH 6-8) 0.89 3.35 -45.51 3 4 1 65 301.476 2 ↓

Activity (Go SEA)

Rings

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

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