UCSF

ZINC66636811

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 20 No

Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(6-methyl-3-pyridyl)acetamide N-[(4-ethyl-5-sulfanyl-1,2,4-tri…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.57 5.98 -17.85 2 6 0 76 291.38 5 ↓
Mid Mid (pH 6-8) 0.16 5.76 -46.95 1 6 -1 73 290.372 5 ↓
Lo Low (pH 4.5-6) -0.57 6.42 -44.5 3 6 1 77 292.388 5 ↓

Activity (Go SEA)

Rings

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

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