UCSF

ZINC69709990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 20 Yes

Popular Name: N-[(2,5-difluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine N-[(2,5-difluorophenyl)methyl]-1…

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) 2.56 6.61 -40.88 2 3 1 35 284.326 3 ↓
Hi High (pH 8-9.5) 2.56 5.41 -4.41 1 3 0 30 283.318 3 ↓

Activity (Go SEA)

Rings

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

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