UCSF

ZINC52874115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 Yes

Popular Name: 3-butyl-8-[[cyclohexyl(ethyl)amino]methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[[cyclohexyl(ethyl)ami…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.68 9.25 -47.61 2 7 1 77 362.498 7 ↓
Hi High (pH 8-9.5) 2.68 7.39 -8.12 1 7 0 76 361.49 7 ↓

Activity (Go SEA)

Rings

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

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