UCSF

ZINC52828215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 Yes

Popular Name: N-[1-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-piperidyl]pentanamide N-[1-[(1-methyl-4-oxo-5H-pyrazol…

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) 1.34 3.95 -48.8 2 8 0 100 346.435 6 ↓
Mid Mid (pH 6-8) 0.88 6.74 -61.78 3 8 1 97 347.443 6 ↓
Mid Mid (pH 6-8) 0.88 4.53 -16.64 2 8 0 96 346.435 6 ↓

Activity (Go SEA)

Rings

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

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