UCSF

ZINC66859434

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 23 No

Popular Name: N-[1-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-4-piperidyl]-N-ethyl-methanesulfonam N-[1-[[5-(dimethylamino)-2-thiox…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.80 4.37 -15.96 0 7 0 62 379.577 6 ↓
Lo Low (pH 4.5-6) 0.80 6.73 -47.59 1 7 1 63 380.585 6 ↓

Activity (Go SEA)

Rings

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

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