| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2008 | 32 | 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) | 2.61 | 9.66 | -87.62 | 4 | 8 | 2 | 92 | 450.465 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 9.14 | -46.27 | 3 | 8 | 1 | 91 | 449.457 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 9.32 | -42.22 | 3 | 8 | 1 | 87 | 449.457 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 8.8 | -16.98 | 2 | 8 | 0 | 86 | 448.449 | 8 | ↓ |
