UCSF

ZINC67225556

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 26 Yes

Popular Name: 5-methyl-3-[4-(o-tolyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-methyl-3-[4-(o-tolyl)piperazin…

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) 1.80 7 -47.95 0 7 -1 77 350.402 2 ↓
Mid Mid (pH 6-8) 1.80 6.84 -62.87 1 7 0 78 351.41 2 ↓
Mid Mid (pH 6-8) 1.34 8.32 -17.16 1 7 0 74 351.41 2 ↓
Lo Low (pH 4.5-6) 1.34 8.22 -52.32 2 7 1 75 352.418 2 ↓

Activity (Go SEA)

Rings

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

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