| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 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) | -1.61 | 1.08 | -78.06 | 7 | 11 | 0 | 209 | 459.431 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.34 | -3.58 | -72.01 | 7 | 11 | -1 | 205 | 459.431 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | 2.07 | -107.45 | 6 | 11 | 0 | 212 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -1.5 | -246.22 | 5 | 11 | -3 | 210 | 457.415 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | 0.28 | -59.89 | 7 | 11 | 0 | 203 | 460.439 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | 0.82 | -50.24 | 6 | 11 | 0 | 206 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -0.86 | -122.85 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -2.5 | -145.25 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
