| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 31 | 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) | 2.49 | 9.33 | -67.16 | 1 | 7 | 0 | 91 | 419.481 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 7 | -60.88 | 0 | 7 | -1 | 90 | 418.473 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 8.51 | -45.42 | 2 | 7 | 1 | 88 | 420.489 | 8 | ↓ |
