| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 28 | 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) | 2.26 | 3.06 | -44.28 | 1 | 8 | -1 | 114 | 446.233 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 3.96 | -100.92 | 0 | 8 | -2 | 117 | 445.225 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 4.83 | -14.23 | 2 | 8 | 0 | 111 | 447.241 | 4 | ↓ |
