UCSF

ZINC53423136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 28 Yes

Popular Name: 3-butyl-8-[[[(1S)-1-(4-fluorophenyl)ethyl]-methyl-amino]methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[[[(1S)-1-(4-fluorophe…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.52 10.48 -57.54 2 7 1 77 388.467 7 ↓
Mid Mid (pH 6-8) 2.52 8.5 -10.97 1 7 0 76 387.459 7 ↓

Activity (Go SEA)

Rings

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

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