UCSF

ZINC49424488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 No

Popular Name: (2R)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]-1,4-dioxane-2-carboxamide (2R)-N-[5-(2-pyridyl)-4H-1,2,4-t…

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) -0.32 1.71 -54.33 1 8 -1 108 274.26 3 ↓
Mid Mid (pH 6-8) -0.51 4.2 -14.15 2 8 0 102 275.268 3 ↓

Activity (Go SEA)

Rings

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

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