| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 34 | 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) | 1.95 | 10.02 | -74.67 | 2 | 9 | 0 | 112 | 464.522 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 7.49 | -60.98 | 1 | 9 | -1 | 110 | 463.514 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 8.72 | -60.75 | 3 | 9 | 1 | 109 | 465.53 | 8 | ↓ |
