| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 22 | 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) | 1.61 | 7.18 | -45.49 | 3 | 4 | 1 | 49 | 316.45 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 7.71 | -63.61 | 3 | 4 | 0 | 49 | 315.442 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.18 | -53.45 | 2 | 4 | -1 | 48 | 314.434 | 2 | ↓ |
