| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2009 | 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) | 1.15 | 6.49 | -41.19 | 3 | 7 | 0 | 114 | 451.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 7.36 | -52.42 | 2 | 7 | -1 | 117 | 450.309 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 6.47 | -103.02 | 1 | 7 | -2 | 113 | 449.301 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 5.8 | -51.84 | 2 | 7 | -1 | 110 | 450.309 | 3 | ↓ |
