| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 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) | 0.47 | 4.34 | -40.78 | 0 | 9 | -1 | 104 | 450.471 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 6.66 | -52.92 | 1 | 9 | 0 | 105 | 451.479 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.47 | 5.53 | -58.92 | 2 | 9 | 1 | 103 | 452.487 | 6 | ↓ |
