| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 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) | 5.09 | 11.53 | -60.12 | 0 | 6 | -1 | 83 | 455.515 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | -0.49 | -12.79 | 0 | 6 | 0 | 76 | 456.523 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.09 | 10.72 | -16.86 | 1 | 6 | 0 | 80 | 456.523 | 5 | ↓ |
