UCSF

ZINC67965215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: [2-(dimethylaminomethyl)thiazol-4-yl]-(3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)methanone [2-(dimethylaminomethyl)thiazol-…

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) 0.46 6.44 -84.58 2 6 2 45 353.536 3 ↓
Mid Mid (pH 6-8) 0.46 3.81 -35.54 1 6 1 44 352.528 3 ↓
Lo Low (pH 4.5-6) 0.46 8.69 -168.17 3 6 3 47 354.544 3 ↓

Activity (Go SEA)

Rings

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

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