| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2008 | 32 | 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) | 2.72 | 8.18 | -62.66 | 2 | 9 | -1 | 132 | 457.463 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 6.13 | -101.11 | 1 | 9 | -2 | 134 | 456.455 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 7.31 | -85.85 | 3 | 9 | 0 | 134 | 458.471 | 7 | ↓ |
