UCSF

ZINC95544157

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2013 0 No

Popular Name: 6-Mercaptopurine 6-Mercaptopurine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 50-44-2 , 50-44-2; 74-61-3 , 6112-76-1 , [50-44-2]

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

Vendor Notes

Note Type Comments Provided By
MP 300 - 302 Enamine Building Blocks
MP 300...302 Enamine Building Blocks
ALOGPS_SOLUBILITY 7.35e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point ca 315? dec. Alfa-Aesar
Melting_Point ca 315° dec. Alfa-Aesar
Target DNA/RNA Synthesis Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : M-8526; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOW POWDER NIH Clinical Collection via PubChem
UniProt Database Links NEPI_ECO27; NEPI_ECO57; NEPI_ECOBW; NEPI_ECOK1; NEPI_ECOL5; NEPI_ECOL6; NEPI_ECOLI; NEPI_ECOUT; NEPI_SALCH; NEPI_SALEP; NEPI_SALG2; NEPI_SALPA; NEPI_SALPB; NEPI_SALPC; NEPI_SALPK; NEPI_SALTI; NEPI_SALTY; NEPI_SHIBS; NEPI_SHIDS; NEPI_SHIF8; NEPI_SHIFL; NEP ChEBI
Reactome Database Links REACT_1995; REACT_6779 ChEBI
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: M-8526; SUPPLIER_COMMENTS: YELLOW POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Methylation

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

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