| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 31 | 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) | 3.41 | 7.47 | -71.85 | 3 | 6 | 0 | 97 | 483.779 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 5.98 | -54.66 | 2 | 6 | -1 | 93 | 482.771 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 6.47 | -59.58 | 4 | 6 | 1 | 94 | 484.787 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 7.45 | -59.89 | 3 | 6 | 1 | 91 | 484.787 | 9 | ↓ |
