UCSF

ZINC62958716

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1-[4-(8-azaspiro[4.5]decan-8-ylmethyl)thiazol-2-yl]-N-methyl-methanamine 1-[4-(8-azaspiro[4.5]decan-8-ylm…

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) 2.09 7.47 -91.32 3 3 2 34 281.469 4 ↓
Hi High (pH 8-9.5) 2.09 6.02 -33.58 2 3 1 29 280.461 4 ↓
Hi High (pH 8-9.5) 2.09 3.75 -4.84 1 3 0 28 279.453 4 ↓

Activity (Go SEA)

Rings

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

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