| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 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) | 2.08 | 7.13 | -63.84 | 0 | 8 | -1 | 90 | 445.499 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 10.5 | -46.27 | 2 | 8 | 1 | 89 | 447.515 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 10.91 | -97.64 | 3 | 8 | 2 | 90 | 448.523 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 9.49 | -72.12 | 1 | 8 | 0 | 91 | 446.507 | 6 | ↓ |
