UCSF

ZINC55061192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 27 Yes

Popular Name: (5R)-9-(2-methoxyethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (5R)-9-(2-methoxyethyl)-2-[(3,4,…

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) 1.99 7.13 -45.76 1 6 1 45 379.521 8 ↓
Hi High (pH 8-9.5) 1.99 4.68 -8.32 0 6 0 43 378.513 8 ↓
Mid Mid (pH 6-8) 1.99 6.75 -41.08 1 6 1 45 379.521 8 ↓

Activity (Go SEA)

Rings

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

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