UCSF

ZINC42016154

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 No

Popular Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[2-(2-pyridyl)ethyl]acetamide 2-(1-oxidopyridin-1-ium-2-yl)sul…

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) -0.04 5.28 -36.91 1 5 0 67 289.36 6 ↓
Lo Low (pH 4.5-6) -0.04 5.63 -64.13 2 5 1 69 290.368 6 ↓

Activity (Go SEA)

Rings

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

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