| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 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) | 1.29 | 8.04 | -69.25 | 1 | 8 | 0 | 92 | 412.49 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 5.51 | -56.98 | 0 | 8 | -1 | 91 | 411.482 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 6.99 | -64.84 | 2 | 8 | 1 | 89 | 413.498 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 7.99 | -58.91 | 1 | 8 | 1 | 86 | 413.498 | 7 | ↓ |
