| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 37 | 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) | 3.32 | 13.14 | -68.65 | 1 | 9 | 0 | 101 | 506.603 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 10.63 | -55.4 | 0 | 9 | -1 | 99 | 505.595 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 11.84 | -56.61 | 2 | 9 | 1 | 98 | 507.611 | 11 | ↓ |
