UCSF

ZINC66447326

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 21 No

Popular Name: 5-(dimethylamino)-3-[[methyl(2-phenoxyethyl)amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[methyl(2-p…

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) 2.31 7.33 -13.16 0 5 0 34 324.475 7 ↓
Lo Low (pH 4.5-6) 2.31 9.85 -40.01 1 5 1 35 325.483 7 ↓

Activity (Go SEA)

Rings

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

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