| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 19 | 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) | 4.42 | 6.59 | -8.1 | 1 | 3 | 0 | 45 | 315.17 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 4.77 | -43.89 | 0 | 3 | -1 | 48 | 314.162 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 4.29 | -46.85 | 0 | 3 | -1 | 48 | 314.162 | 1 | ↓ |
