| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 29 | 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) | 1.41 | 3.92 | -14.76 | 2 | 8 | 0 | 110 | 408.439 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 4.76 | -46.5 | 1 | 8 | -1 | 113 | 407.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 4.65 | -50.15 | 2 | 8 | 0 | 114 | 408.439 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 3.98 | -14.59 | 2 | 8 | 0 | 110 | 408.439 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 3.88 | -37.09 | 3 | 8 | 1 | 112 | 409.447 | 4 | ↓ |
