UCSF

ZINC69841467

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 31 Yes

Popular Name: N,N-dimethyl-5-[[(1S)-1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]-6-azaspiro[2.5]octan-6-yl]methyl]furan- N,N-dimethyl-5-[[(1S)-1-[3-(3-py…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.82 6.01 -52.89 1 9 1 107 444.537 6 ↓
Lo Low (pH 4.5-6) 1.82 6.51 -99.11 2 9 2 108 445.545 6 ↓

Activity (Go SEA)

Rings

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

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