| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 35 | 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) | 3.98 | 9 | -58.59 | 0 | 7 | -1 | 82 | 497.637 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | -1.1 | -46.76 | 1 | 7 | 1 | 77 | 499.653 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 11.33 | -77.63 | 1 | 7 | 0 | 83 | 498.645 | 10 | ↓ |
