| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 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) | 2.73 | 5.69 | -51.17 | 3 | 6 | 1 | 78 | 413.469 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 6.16 | -32.3 | 2 | 6 | 0 | 81 | 412.461 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 3.82 | -46.09 | 1 | 6 | -1 | 80 | 411.453 | 5 | ↓ |
