| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 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) | 3.60 | 11.16 | -72.22 | 1 | 7 | 0 | 83 | 452.551 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 8.61 | -59.03 | 0 | 7 | -1 | 82 | 451.543 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 2.67 | -45.57 | 1 | 7 | 1 | 77 | 453.559 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 11.47 | -47.18 | 2 | 7 | 1 | 81 | 453.559 | 9 | ↓ |
