| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 12 | Yes |
| 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) | -3.72 | -9.48 | -12.86 | 5 | 6 | 0 | 118 | 180.156 | 5 | ↓ |
| Hi High (pH 8-9.5) | -3.72 | -9.37 | -59.02 | 4 | 6 | -1 | 121 | 179.148 | 5 | ↓ |
| Hi High (pH 8-9.5) | -3.72 | -8.73 | -59.91 | 4 | 6 | -1 | 121 | 179.148 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0000092A1; EP0000243A1; EP0000991A1; EP0008031A1; EP0012278A2; EP0014050A2; EP0023375A1; EP0031005A1; EP0034858A2; EP0036904A1; EP0044186A1; EP0052719A1; EP0055381A1; EP0061210A1; EP0062784A1; EP0066249A2; EP0069412A1; EP0072440A1; EP0074505A2; EP007611 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0014050A2; EP0039127A2; EP0044186A1; EP0076118A1; EP0079206A1; EP0091223A1; EP0098642A2; EP0100382A1; EP0109203A1; EP0139486A2; EP0152856A2; EP0163431A2; EP0189427A1; EP0189722A1; EP0221728A2; EP0221728B1; EP0222835A1; EP0222835B2; EP0231752A2; EP023448 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US4851439; US5451667 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5554386 | IBM Patent Data |
