| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 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) | 3.80 | 9.66 | -79.4 | 2 | 7 | 0 | 94 | 452.551 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 7.14 | -62.15 | 1 | 7 | -1 | 93 | 451.543 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.25 | 8.79 | -44.69 | 3 | 7 | 1 | 92 | 453.559 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | -0.49 | -46.79 | 2 | 7 | 1 | 88 | 453.559 | 10 | ↓ |
