UCSF

ZINC67434305

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 Yes

Popular Name: 2-(3,5-dimethoxyphenyl)-1-(3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)ethanone 2-(3,5-dimethoxyphenyl)-1-(3,7-d…

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) 1.89 6.16 -39.28 1 6 1 46 362.494 4 ↓
Lo Low (pH 4.5-6) 1.89 8.38 -108.18 2 6 2 48 363.502 4 ↓

Activity (Go SEA)

Rings

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

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