UCSF

ZINC49281471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 No

Popular Name: 3-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methyl]-1,3,4-thiadiazole-2-thione 3-[[(3S)-3-(3-methyl-1,2,4-oxadi…

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) 0.48 3.22 -14.92 0 6 0 60 297.409 3 ↓
Mid Mid (pH 6-8) 0.48 5.59 -46.67 1 6 1 61 298.417 3 ↓

Activity (Go SEA)

Rings

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

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