| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 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) | 3.76 | 12.16 | -63.4 | 1 | 5 | -1 | 78 | 478.663 | 6 | ↓ |
| Hi High (pH 8-9.5) | 6.04 | 13.67 | -39.96 | 2 | 5 | -1 | 73 | 478.663 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.70 | 13.68 | -16.14 | 2 | 5 | 0 | 67 | 479.671 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.67 | 12 | -60.01 | 0 | 5 | -1 | 76 | 478.663 | 6 | ↓ |
