| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 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) | 3.99 | 10.3 | -58.62 | 0 | 6 | -1 | 83 | 461.925 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.44 | 10.61 | -14.14 | 1 | 6 | 0 | 80 | 462.933 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.44 | 10.89 | -40.66 | 2 | 6 | 1 | 81 | 463.941 | 6 | ↓ |
