| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 39 | 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) | 5.18 | 14.25 | -68.56 | 1 | 8 | 0 | 93 | 538.685 | 16 | ↓ |
| Hi High (pH 8-9.5) | 5.18 | 11.93 | -56.7 | 0 | 8 | -1 | 91 | 537.677 | 16 | ↓ |
| Lo Low (pH 4.5-6) | 5.18 | 12.94 | -56.44 | 2 | 8 | 1 | 90 | 539.693 | 16 | ↓ |
