UCSF

ZINC18205448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 11 No

Popular Name: 2,6-DIMERCAPTOPURINE 2,6-DIMERCAPTOPURINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5437-25-2 , [5437-25-2]

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) 0.32 3.84 -40.15 2 4 -1 57 183.241 0 ↓
Ref Reference (pH 7) 0.32 3.81 -41.33 2 4 -1 57 183.241 0 ↓
Ref Reference (pH 7) 0.32 3.75 -39.87 2 4 -1 57 183.241 0 ↓
Hi High (pH 8-9.5) 1.05 3.45 -88.68 1 4 -2 54 182.233 0 ↓
Mid Mid (pH 6-8) 0.33 3.86 -40.81 2 4 -1 57 183.241 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.