| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 35 | 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) | 5.19 | 13.94 | -70.66 | 1 | 6 | 0 | 74 | 482.596 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.19 | 11.71 | -55.8 | 0 | 6 | -1 | 73 | 481.588 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.61 | 13.42 | -46.27 | 1 | 6 | 1 | 68 | 483.604 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.19 | 13.06 | -43.71 | 2 | 6 | 1 | 71 | 483.604 | 12 | ↓ |
