| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2006 | 33 | 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) | -0.36 | -8.38 | -19.16 | 8 | 12 | 0 | 211 | 464.379 | 4 | ↓ |
| Ref Reference (pH 7) | -0.36 | -8.99 | -23.01 | 8 | 12 | 0 | 211 | 464.379 | 4 | ↓ |
| Ref Reference (pH 7) | -0.10 | -9.11 | -32.88 | 8 | 12 | 0 | 211 | 464.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -8.04 | -52.38 | 7 | 12 | -1 | 213 | 463.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.36 | -7.91 | -63.93 | 7 | 12 | -1 | 213 | 463.371 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 213 C (d) | Indofine |
| MP | 213o C, dec | Indofine |
| PUBCHEM_PATENT_ID | EP0852946A2; EP0852946A3; US6039950; US6147054; WO1997023233A1; WO1999021009A1; WO2000057876A1 | IBM Patent Data |
| SOLUBILITY | Store in Dry dark place | Indofine |
| APPEARANCE | Yellow powder | Indofine |
