| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 33 | 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) | 2.72 | 7.72 | -11.64 | 1 | 7 | 0 | 87 | 480.615 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 5.77 | -46.33 | 0 | 7 | -1 | 94 | 479.607 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 6.04 | -48.16 | 0 | 7 | -1 | 94 | 479.607 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 10.21 | -55.17 | 2 | 7 | 1 | 89 | 481.623 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 9.99 | -46.26 | 2 | 7 | 1 | 89 | 481.623 | 6 | ↓ |
