UCSF

ZINC10503613

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 29 Yes

Popular Name: 1,3-dimethyl-7-[3-(4-thiazol-2-ylpiperazin-1-yl)carbonylpropyl]purine-2,6-dione 1,3-dimethyl-7-[3-(4-thiazol-2-y…

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) 0.60 9.46 -21.59 0 10 0 98 417.495 5 ↓
Lo Low (pH 4.5-6) 0.60 9.91 -47.85 1 10 1 100 418.503 5 ↓

Activity (Go SEA)

Rings

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

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