UCSF

ZINC57919097

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 22 Yes

Popular Name: 7-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[[4-(2,2-difluoroethyl)piperaz…

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) 1.51 4.71 -34.74 1 5 1 42 329.396 4 ↓
Hi High (pH 8-9.5) 1.51 4.31 -12.73 0 5 0 41 328.388 4 ↓
Lo Low (pH 4.5-6) 1.51 6.83 -89.16 2 5 2 43 330.404 4 ↓

Activity (Go SEA)

Rings

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

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