UCSF

ZINC69688017

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 19 No

Popular Name: 3-[[(5-bromo-2-furyl)methyl-methyl-amino]methyl]-5-ethoxy-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) 2.55 6.65 -40.51 1 5 1 45 365.298 6 ↓
Hi High (pH 8-9.5) 2.55 4.06 -6.61 0 5 0 43 364.29 6 ↓

Activity (Go SEA)

Rings

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

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