UCSF

ZINC53623899

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 17 Yes

Popular Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(2-thienyl)ethyl]ethanamine 2-[(5-methyl-1,3,4-oxadiazol-2-y…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 1.28 2.33 -51.77 2 4 1 56 270.403 7 ↓
Hi High (pH 8-9.5) 1.28 0.98 -8.58 1 4 0 51 269.395 7 ↓

Activity (Go SEA)

Rings

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

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