| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 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) | 3.37 | 11.36 | -70.72 | 1 | 7 | 0 | 87 | 451.567 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 9.14 | -55.63 | 0 | 7 | -1 | 86 | 450.559 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 11.55 | -48.48 | 2 | 7 | 1 | 84 | 452.575 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 11.83 | -103.46 | 3 | 7 | 2 | 85 | 453.583 | 11 | ↓ |
