| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 30 | Yes |
| 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) | 1.31 | 5.47 | -44.44 | 4 | 8 | 1 | 101 | 412.514 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 4.97 | -16.18 | 3 | 8 | 0 | 99 | 411.506 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 5 | -15.88 | 3 | 8 | 0 | 99 | 411.506 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 6.09 | -61.45 | 4 | 8 | 1 | 104 | 412.514 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 6.62 | -117.6 | 5 | 8 | 2 | 105 | 413.522 | 5 | ↓ |
