UCSF

ZINC69688121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 No

Popular Name: 3-[[(5-bromo-2-furyl)methyl-methyl-amino]methyl]-5-(2-methoxyethylamino)-1,3,4-thiadiazole-2-thione 3-[[(5-bromo-2-furyl)methyl-meth…

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) 1.96 7.25 -39.33 2 6 1 57 394.34 8 ↓
Hi High (pH 8-9.5) 1.96 4.81 -9.46 1 6 0 55 393.332 8 ↓

Activity (Go SEA)

Rings

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

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