| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 28 | 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) | 3.16 | 6.84 | -12 | 2 | 6 | 0 | 78 | 395.484 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.01 | -56 | 0 | 6 | -1 | 77 | 394.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.19 | -46.02 | 0 | 6 | -1 | 77 | 394.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.71 | -46 | 1 | 6 | -1 | 81 | 394.476 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.61 | -52.95 | 1 | 6 | -1 | 81 | 394.476 | 6 | ↓ |
