| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 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) | 2.18 | 6.25 | -60.78 | 0 | 7 | -1 | 86 | 409.462 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | -0.17 | -44.04 | 2 | 7 | 1 | 84 | 411.478 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 8.59 | -74.2 | 1 | 7 | 0 | 87 | 410.47 | 6 | ↓ |
