| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 34 | 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) | 3.04 | 6.65 | -18.4 | 3 | 8 | 0 | 112 | 456.502 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.6 | -44.6 | 2 | 8 | -1 | 114 | 455.494 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.85 | 5.16 | -49.67 | 3 | 8 | 1 | 109 | 457.51 | 6 | ↓ |
