UCSF

ZINC39267450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 37 Yes

Popular Name: [2-(2,1,3-benzoxadiazol-5-yl)thiazol-4-yl]-[4-[6-(N,3-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl] [2-(2,1,3-benzoxadiazol-5-yl)thi…

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) 4.76 12.97 -43.6 1 10 1 106 513.607 5 ↓
Mid Mid (pH 6-8) 4.76 12.52 -16.34 0 10 0 104 512.599 5 ↓

Activity (Go SEA)

Rings

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

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