UCSF

ZINC57279223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 25 Yes

Popular Name: [4-(2-amino-8,9-dimethyl-purin-6-yl)piperazin-1-yl]-(2-furyl)methanone [4-(2-amino-8,9-dimethyl-purin-6…

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) 1.00 8.15 -15.29 2 9 0 106 341.375 2 ↓
Lo Low (pH 4.5-6) 1.00 7.75 -35.95 3 9 1 108 342.383 2 ↓

Activity (Go SEA)

Rings

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

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