| 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) | 3.34 | 11 | -50.95 | 1 | 7 | 0 | 87 | 451.567 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 8.68 | -40.62 | 0 | 7 | -1 | 86 | 450.559 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 9.87 | -49.29 | 2 | 7 | 1 | 84 | 452.575 | 12 | ↓ |
