UCSF

ZINC48961344

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 No

Popular Name: 3-[[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]methyl]-5-isopropoxy-1,3,4-thiadiazole-2-thione 3-[[[(3R)-1,1-dioxothiolan-3-yl]…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.84 0.86 -14.01 0 6 0 64 337.492 5 ↓
Lo Low (pH 4.5-6) 0.84 1.34 -44.15 1 6 1 66 338.5 5 ↓

Activity (Go SEA)

Rings

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

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