| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2008 | 10 | Yes |
Popular Name: 6-Methylpurine 6-Methylpurine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 07/03/2004 , 2004-03-7 , [2004-03-7]
| 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) | 0.04 | 3.68 | -15.87 | 1 | 4 | 0 | 54 | 134.142 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.93e+01 g/l | DrugBank-experimental |
| MP | 235-236° | Matrix Scientific |
| MP | 237-238° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0092709A2; EP0271838A2; EP0271838B1; EP0320271A2; EP0365556A1; EP0365556B1; EP0454781A1; EP0454781B1; EP0463999A1; EP0540686A1; EP0540686B1; EP0548553A1; EP0561426A1; EP0586523A1; EP0715523A1; EP0729511A1; EP0755255A1; EP0832980A1; EP0839813A1; EP105302 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.