UCSF

ZINC69970707

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 No

Popular Name: 2-[(5S)-7-benzyl-1,3-dioxo-2,4,7-triazaspiro[4.5]decan-2-yl]-N-methyl-acetamide 2-[(5S)-7-benzyl-1,3-dioxo-2,4,7…

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) 0.67 2.52 -13.81 2 7 0 82 330.388 4 ↓
Mid Mid (pH 6-8) 0.67 4.94 -53.02 3 7 1 83 331.396 4 ↓

Activity (Go SEA)

Rings

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

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