| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 28 | No |
None
| 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) | 1.58 | 9.36 | -65.18 | 1 | 6 | -1 | 90 | 403.524 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 9.89 | -121.46 | 1 | 6 | -2 | 90 | 402.516 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5552397; US5646276; US5654294 | IBM Patent Data |
