| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2012 | 28 | 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) | -0.47 | 0.7 | -131.08 | 5 | 8 | 1 | 122 | 414.548 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | -0.58 | -91.3 | 4 | 8 | 0 | 117 | 413.54 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5550121 | IBM Patent Data |
