| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 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) | -0.31 | 8.12 | -66.03 | 3 | 9 | -1 | 154 | 423.401 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 9.01 | -109.73 | 2 | 9 | -2 | 157 | 422.393 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 7.17 | -132.73 | 2 | 9 | -2 | 150 | 422.393 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 6.13 | -29.33 | 4 | 9 | 0 | 152 | 424.409 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.31 | 6.27 | -37.07 | 4 | 9 | 0 | 152 | 424.409 | 5 | ↓ |
