| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 27 | 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) | 3.15 | 6.75 | -45.18 | 1 | 6 | -1 | 87 | 446.302 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 7.7 | -100.99 | 0 | 6 | -2 | 90 | 445.294 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 7.82 | -15.35 | 2 | 6 | 0 | 84 | 447.31 | 4 | ↓ |
