UCSF

ZINC37337575

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 No

Popular Name: (5S)-3-benzyl-3,7-diazaspiro[4.4]nonane-6,8-dione (5S)-3-benzyl-3,7-diazaspiro[4.4…

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) 0.50 4.89 -49.11 2 4 1 51 245.302 2 ↓
Hi High (pH 8-9.5) 0.50 2.39 -10.88 1 4 0 49 244.294 2 ↓
Hi High (pH 8-9.5) 0.69 -0.15 -44.11 0 4 -1 56 243.286 2 ↓

Activity (Go SEA)

Rings

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

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