| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 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) | 5.16 | 10.76 | -11.26 | 2 | 6 | 0 | 80 | 411.461 | 5 | ↓ |
| Ref Reference (pH 7) | 6.89 | 9.95 | -17.65 | 2 | 6 | 0 | 83 | 411.461 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.89 | 10.95 | -67.9 | 1 | 6 | -1 | 86 | 410.453 | 5 | ↓ |
