| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 31 | Yes |
None
| 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) | 4.28 | 9.93 | -48.17 | 1 | 6 | 1 | 56 | 441.935 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 7.08 | -12.3 | 0 | 6 | 0 | 55 | 440.927 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | 9.35 | -47.45 | 1 | 6 | 1 | 56 | 441.935 | 4 | ↓ |
