| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 40 | Yes |
| 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) | 4.52 | 14.81 | -128.93 | 6 | 8 | 3 | 79 | 551.848 | 14 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 12.01 | -42.7 | 4 | 8 | 1 | 76 | 549.832 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 15.82 | -169.65 | 6 | 8 | 3 | 82 | 551.848 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 14.46 | -85.09 | 5 | 8 | 2 | 77 | 550.84 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 16.17 | -224.89 | 7 | 8 | 4 | 83 | 552.856 | 14 | ↓ |
