| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 30 | 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) | 2.87 | 9.81 | -57.02 | 0 | 5 | -1 | 73 | 405.38 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 9.37 | -13.15 | 0 | 5 | 0 | 67 | 406.388 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 9.65 | -42.52 | 1 | 5 | 1 | 69 | 407.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.87 | 8.98 | -17.02 | 1 | 5 | 0 | 71 | 406.388 | 5 | ↓ |
