| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 21 | 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) | 2.66 | 5.35 | -37.95 | 2 | 4 | 1 | 37 | 356.284 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 3.95 | -44.18 | 0 | 4 | -1 | 39 | 354.268 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 3.18 | -5.54 | 1 | 4 | 0 | 36 | 355.276 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.11 | -60.84 | 1 | 4 | 0 | 40 | 355.276 | 3 | ↓ |
