UCSF

ZINC16578107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 27 Yes

Popular Name: 1'-[(benzyl-methyl-amino)methyl]-5,5-dimethyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[(benzyl-methyl-amino)methyl]…

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) 3.59 8.57 -10.33 0 5 0 42 366.461 4 ↓
Lo Low (pH 4.5-6) 3.59 10.96 -43.39 1 5 1 43 367.469 4 ↓

Activity (Go SEA)

Rings

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

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