| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 30 | 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) | 2.82 | 9.43 | -73.15 | 1 | 7 | 0 | 87 | 412.486 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 6.9 | -59.61 | 0 | 7 | -1 | 86 | 411.478 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 1.25 | -44.03 | 2 | 7 | 1 | 84 | 413.494 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 1.12 | -46.43 | 1 | 7 | 1 | 81 | 413.494 | 9 | ↓ |
