| 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) | 3.62 | 9.39 | -76.19 | 2 | 7 | 0 | 94 | 452.551 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 7.16 | -63.15 | 1 | 7 | -1 | 93 | 451.543 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | -0.47 | -46.65 | 2 | 7 | 1 | 88 | 453.559 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 9.25 | -44.12 | 3 | 7 | 1 | 92 | 453.559 | 10 | ↓ |
