| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2007 | 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) | 5.45 | 12.95 | -52.76 | 0 | 9 | -1 | 128 | 514.539 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.87 | 12.91 | -20.16 | 0 | 9 | 0 | 122 | 515.547 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.90 | 11.91 | -28.86 | 1 | 9 | 0 | 126 | 515.547 | 5 | ↓ |
