| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2007 | 39 | 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) | 4.13 | 13.04 | -77.62 | 1 | 8 | 0 | 93 | 530.621 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 10.5 | -60.03 | 0 | 8 | -1 | 91 | 529.613 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 1.7 | -52.03 | 1 | 8 | 1 | 86 | 531.629 | 11 | ↓ |
