| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 41 | 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) | 1.81 | 2.03 | -89.09 | 7 | 12 | 0 | 204 | 563.563 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 2.79 | -121.36 | 6 | 12 | -1 | 207 | 562.555 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0687249A1; WO1994020062A2 | IBM Patent Data |
