UCSF

ZINC41528411

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 Yes

Popular Name: 3-methyl-7-[4-(2-pyridyl)piperazin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine 3-methyl-7-[4-(2-pyridyl)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) 1.16 6.86 -34.6 2 7 1 75 296.358 2 ↓
Hi High (pH 8-9.5) 1.16 7.48 -11.39 1 7 0 74 295.35 2 ↓

Activity (Go SEA)

Rings

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

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