| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 33 | 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) | 3.10 | 8.62 | -46.61 | 4 | 6 | 1 | 82 | 445.587 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.5 | -16.84 | 3 | 6 | 0 | 81 | 444.579 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 8.98 | -83.77 | 5 | 6 | 2 | 84 | 446.595 | 4 | ↓ |
