| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2007 | 37 | 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) | 4.37 | 10.44 | -69.22 | 2 | 8 | 0 | 104 | 510.631 | 13 | ↓ |
| Hi High (pH 8-9.5) | 4.37 | 8.11 | -60.71 | 1 | 8 | -1 | 102 | 509.623 | 13 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | -0.08 | -46.45 | 2 | 8 | 1 | 97 | 511.639 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.82 | 9.32 | -44.24 | 3 | 8 | 1 | 101 | 511.639 | 12 | ↓ |
