| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 16 | Yes |
| 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) | 2.24 | 5.86 | -34.54 | 2 | 3 | 1 | 34 | 222.308 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 3.66 | -6.08 | 1 | 3 | 0 | 33 | 221.3 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0729956A1; EP0827959A2; EP0827959A3; EP0838462A1; US5856340 | IBM Patent Data |
