| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 36 | 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) | 6.07 | 11.95 | -13.22 | 2 | 6 | 0 | 78 | 520.054 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.05 | 11.78 | -52.59 | 0 | 6 | -1 | 77 | 519.046 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.05 | 11.74 | -48.66 | 0 | 6 | -1 | 77 | 519.046 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.07 | 12.75 | -40.5 | 1 | 6 | -1 | 81 | 519.046 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.07 | 12.71 | -49.4 | 1 | 6 | -1 | 81 | 519.046 | 7 | ↓ |
