| 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) | 4.51 | 8.34 | -58.36 | 1 | 7 | -1 | 99 | 515.38 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.51 | 9.26 | -116.13 | 0 | 7 | -2 | 102 | 514.372 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.51 | 7.59 | -15.62 | 2 | 7 | 0 | 96 | 516.388 | 7 | ↓ |
