| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 39 | 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) | -0.38 | 0.26 | -122.55 | 11 | 11 | 2 | 195 | 560.721 | 17 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | -1.4 | -22.65 | 9 | 11 | 0 | 189 | 558.705 | 17 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | -0.07 | -63.67 | 10 | 11 | 1 | 193 | 559.713 | 17 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | -1.1 | -59.99 | 10 | 11 | 1 | 190 | 559.713 | 17 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | -2.18 | -63.51 | 10 | 11 | 1 | 201 | 559.713 | 17 | ↓ |
