| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 27 | No |
| 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) | 5.52 | 8.69 | -8.74 | 2 | 4 | 0 | 62 | 489.142 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.52 | 9.46 | -37.35 | 1 | 4 | -1 | 65 | 488.134 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.52 | 9.36 | -36.83 | 1 | 4 | -1 | 65 | 488.134 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.52 | 8.59 | -8.28 | 2 | 4 | 0 | 62 | 489.142 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.52 | 9.12 | -39.09 | 3 | 4 | 1 | 63 | 490.15 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.06 | 10.57 | -86.19 | 3 | 4 | 1 | 63 | 490.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0623126A1; EP0708768A1; EP0724588A1; EP0724588B1; EP0727998A1; EP0871622A1; EP0889887A1; EP0943616A1; EP0969093A3; US5559137; US5593991; US5593992; US5656644; US5663334; US5670527; US5686455; US5777097; US5783664; US5871934; US5916891; US5955366; US5969 | IBM Patent Data |
