| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 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) | 2.55 | 7.75 | -60.71 | 0 | 8 | -1 | 97 | 452.483 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 7.22 | -22.57 | 0 | 8 | 0 | 91 | 453.491 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 6.2 | -28.4 | 1 | 8 | 0 | 95 | 453.491 | 8 | ↓ |
