| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 17 | 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) | 1.77 | 7.32 | -119.09 | 0 | 4 | -2 | 80 | 246.14 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 5.28 | -41.99 | 1 | 4 | -1 | 77 | 247.148 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0510526A1; EP0510526B1 | IBM Patent Data |
