UCSF

ZINC01518754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 13 Yes

Popular Name: 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione 8-Bromo-3-methyl-1H-purine-2,6(3…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 93703-24-3 , [93703-24-3]

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) 0.57 -0.52 -33.09 1 6 -1 87 244.028 0 ↓
Hi High (pH 8-9.5) 4.05 9.23 -3.83 0 2 0 26 244.382 0 ↓
Mid Mid (pH 6-8) 0.11 0.88 -13.13 2 6 0 84 245.036 0 ↓
Mid Mid (pH 6-8) 0.11 1.32 -36.44 3 6 1 85 246.044 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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