| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 33 | 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) | 0.68 | 3.69 | -58.44 | 1 | 9 | -1 | 115 | 452.487 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 6 | -72.17 | 2 | 9 | 0 | 116 | 453.495 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 4.71 | -61.74 | 3 | 9 | 1 | 114 | 454.503 | 8 | ↓ |
