| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 37 | 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) | 2.70 | 8.97 | -49.59 | 3 | 8 | 1 | 108 | 515.663 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 11.11 | -46.56 | 3 | 8 | 1 | 104 | 515.663 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 11.15 | -125.12 | 4 | 8 | 2 | 109 | 516.671 | 7 | ↓ |
