| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2008 | 33 | No |
None
| 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) | 3.66 | 10.98 | -45.68 | 1 | 8 | 0 | 95 | 465.579 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 8.76 | -48.71 | 0 | 8 | -1 | 94 | 464.571 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 9.84 | -26.14 | 1 | 8 | 0 | 88 | 465.579 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 12.06 | -65.99 | 2 | 8 | 1 | 89 | 466.587 | 7 | ↓ |
