| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 35 | 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) | 3.89 | 12.1 | -65.74 | 1 | 9 | 0 | 120 | 481.549 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 9.76 | -51.98 | 0 | 9 | -1 | 119 | 480.541 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.89 | 11.28 | -53.86 | 2 | 9 | 1 | 117 | 482.557 | 11 | ↓ |
