UCSF

ZINC52833713

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 22 Yes

Popular Name: 1-methyl-6-[(N,2,4-trimethylanilino)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[(N,2,4-trimethylanil…

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) 1.97 8.81 -12.34 1 6 0 67 297.362 3 ↓
Hi High (pH 8-9.5) 2.42 5.85 -48.44 0 6 -1 70 296.354 3 ↓
Lo Low (pH 4.5-6) 1.97 8.48 -47.62 2 6 1 68 298.37 3 ↓

Activity (Go SEA)

Rings

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

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