| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 33 | 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) | 7.36 | 13.15 | -12.09 | 1 | 5 | 0 | 64 | 458.583 | 6 | ↓ |
| Ref Reference (pH 7) | 7.36 | 11.7 | -12.31 | 1 | 5 | 0 | 64 | 458.583 | 6 | ↓ |
| Hi High (pH 8-9.5) | 7.36 | 12.61 | -50.39 | 0 | 5 | -1 | 67 | 457.575 | 6 | ↓ |
| Hi High (pH 8-9.5) | 7.36 | 14.08 | -50.06 | 0 | 5 | -1 | 67 | 457.575 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 7.36 | 12.17 | -29.38 | 2 | 5 | 1 | 65 | 459.591 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 7.36 | 13.33 | -27.81 | 2 | 5 | 1 | 65 | 459.591 | 6 | ↓ |
