| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 35 | Yes |
Popular Name: 5-(4-phenoxyphenyl)-7-(4-piperazin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine 5-(4-phenoxyphenyl)-7-(4-piperaz…
| 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) | 3.95 | 11.64 | -50.78 | 4 | 7 | 1 | 86 | 469.613 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | 12.13 | -84.26 | 5 | 7 | 2 | 87 | 470.621 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000017203A1 | IBM Patent Data |
