| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 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) | 3.81 | 9.4 | -55.51 | 2 | 7 | 0 | 94 | 517.42 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 10.32 | -89.75 | 1 | 7 | -1 | 97 | 516.412 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 8.67 | -41.73 | 3 | 7 | 1 | 92 | 518.428 | 8 | ↓ |
