| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2009 | 40 | Yes |
| 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) | 9.04 | 23.02 | -101.3 | 2 | 2 | 2 | 9 | 534.832 | 17 | ↓ |
| Hi High (pH 8-9.5) | 9.04 | 22.32 | -2.45 | 0 | 2 | 0 | 6 | 532.816 | 17 | ↓ |
| Hi High (pH 8-9.5) | 9.04 | 23.77 | -37.05 | 1 | 2 | 1 | 8 | 533.824 | 17 | ↓ |
| Hi High (pH 8-9.5) | 9.04 | 22.69 | -32.01 | 1 | 2 | 1 | 8 | 533.824 | 17 | ↓ |
