| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 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) | 3.22 | 4.69 | -45.01 | 2 | 8 | -1 | 119 | 519.368 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 5.61 | -105.33 | 1 | 8 | -2 | 122 | 518.36 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 4.01 | -11.77 | 3 | 8 | 0 | 117 | 520.376 | 8 | ↓ |
