| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2007 | 31 | 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) | 3.37 | 10.78 | -73.76 | 1 | 6 | 0 | 74 | 426.488 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 8.25 | -55.38 | 0 | 6 | -1 | 73 | 425.48 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 10.51 | -46.31 | 2 | 6 | 1 | 71 | 427.496 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 11.09 | -49.83 | 1 | 6 | 1 | 68 | 427.496 | 8 | ↓ |
