| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 26 | 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) | 4.63 | 7.36 | -9.15 | 2 | 5 | 0 | 78 | 387.823 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 3.83 | -102.96 | 0 | 5 | -2 | 84 | 385.807 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 3.16 | -105.59 | 0 | 5 | -2 | 84 | 385.807 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.09 | 5.4 | -39.05 | 1 | 5 | -1 | 81 | 386.815 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.09 | 5.8 | -45.79 | 1 | 5 | -1 | 81 | 386.815 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.09 | 5.12 | -46.7 | 1 | 5 | -1 | 81 | 386.815 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.09 | 5 | -41.73 | 1 | 5 | -1 | 81 | 386.815 | 1 | ↓ |
