| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2008 | 34 | 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) | 3.92 | 11.21 | -74.11 | 1 | 7 | 0 | 83 | 464.562 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 8.9 | -57.59 | 0 | 7 | -1 | 82 | 463.554 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.36 | 10.01 | -60.11 | 2 | 7 | 1 | 81 | 465.57 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 11.04 | -63.25 | 1 | 7 | 1 | 77 | 465.57 | 12 | ↓ |
