| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 20 | Yes |
Popular Name: 5-oxo-2-piperazin-1-yl-8H-pyrido[2,3-d]pyrimidine-6-carboxylic 5-oxo-2-piperazin-1-yl-8H-pyrido…
| 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) | 0.16 | 4.6 | -78.87 | 3 | 8 | 0 | 119 | 275.268 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 4.31 | -119.68 | 1 | 8 | -2 | 117 | 273.252 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 5.61 | -138.78 | 2 | 8 | -1 | 122 | 274.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 3.3 | -47.23 | 2 | 8 | -1 | 114 | 274.26 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3962443; US4103011; US4201781 | IBM Patent Data |
