| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 32 | 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) | 1.03 | 7.36 | -13.71 | 2 | 9 | 0 | 136 | 452.5 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 7.7 | -46.7 | 1 | 9 | -1 | 139 | 451.492 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0257631A2; EP0257631B1; US4740522; US4883885; US4933476; US5130332; US5247097 | IBM Patent Data |
