UCSF

ZINC69807750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: (6R)-2-ethyl-N-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a (6R)-2-ethyl-N-[[3-(2-pyridyl)-1…

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) 0.67 4.49 -62.6 2 8 1 99 326.384 5 ↓
Hi High (pH 8-9.5) 0.67 3.31 -17.56 1 8 0 95 325.376 5 ↓
Lo Low (pH 4.5-6) 0.67 5.05 -110.69 3 8 2 100 327.392 5 ↓

Activity (Go SEA)

Rings

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

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