UCSF

ZINC66251107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 21 No

Popular Name: 4-bromo-N-[(3S)-2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl]benzamide 4-bromo-N-[(3S)-2,2-dimethyl-5,7…

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) 0.76 4.4 -15.06 2 6 0 79 352.188 2 ↓
Hi High (pH 8-9.5) 1.84 2.77 -55.62 1 6 -1 85 351.18 2 ↓

Activity (Go SEA)

Rings

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

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