| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 29 | 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) | 3.86 | 9.5 | -104.7 | 0 | 6 | -2 | 101 | 452.677 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | -0.52 | -47.17 | 0 | 6 | -1 | 94 | 453.685 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 9.41 | -49.18 | 1 | 6 | -1 | 98 | 453.685 | 6 | ↓ |
