UCSF

ZINC67239586

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 34 Yes

Popular Name: N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl] N-(5-ethoxy-1,3-benzothiazol-2-y…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.54 11.16 -64.74 2 10 1 107 500.63 7 ↓
Mid Mid (pH 6-8) 2.54 8.95 -27.42 1 10 0 105 499.622 7 ↓

Activity (Go SEA)

Rings

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

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