| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 36 | 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) | 5.14 | 13.93 | -73.27 | 1 | 6 | 0 | 74 | 505.014 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.14 | 11.39 | -60.3 | 0 | 6 | -1 | 73 | 504.006 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.58 | 13.52 | -47.03 | 2 | 6 | 1 | 71 | 506.022 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | 14.19 | -46.77 | 1 | 6 | 1 | 68 | 506.022 | 9 | ↓ |
