| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 39 | 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) | 4.45 | 11.14 | -58.4 | 0 | 7 | -1 | 82 | 529.588 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.89 | 13.41 | -50.48 | 2 | 7 | 1 | 81 | 531.604 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 13.86 | -51.22 | 1 | 7 | 1 | 77 | 531.604 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 13.49 | -73.48 | 1 | 7 | 0 | 83 | 530.596 | 9 | ↓ |
