UCSF

ZINC66449397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 25 No

Popular Name: N-[1-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-4-piperidyl]-2-methyl-furan-3-carbox 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) 1.01 8.61 -42.33 2 7 1 68 382.535 5 ↓
Mid Mid (pH 6-8) 1.01 6.25 -14.85 1 7 0 67 381.527 5 ↓

Activity (Go SEA)

Rings

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

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