UCSF

ZINC65575086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 25 Yes

Popular Name: 6-[(N-ethyl-3,4-dimethoxy-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-3,4-dimethoxy-anilin…

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) 1.16 6.51 -17.3 1 8 0 85 343.387 6 ↓
Hi High (pH 8-9.5) 1.62 3.94 -46.42 0 8 -1 88 342.379 6 ↓
Lo Low (pH 4.5-6) 1.16 6.7 -43.49 2 8 0 86 344.395 6 ↓

Activity (Go SEA)

Rings

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

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