UCSF

ZINC48961582

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 No

Popular Name: 3-[[indan-2-yl(methyl)amino]methyl]-1,3,4-thiadiazole-2-thione 3-[[indan-2-yl(methyl)amino]meth…

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) 2.19 6.92 -10.49 0 3 0 21 277.418 3 ↓
Lo Low (pH 4.5-6) 2.19 9.25 -41.69 1 3 1 22 278.426 3 ↓

Activity (Go SEA)

Rings

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

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