| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 29 | 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) | 1.55 | 8.03 | -72.75 | 1 | 7 | 0 | 87 | 415.515 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 5.51 | -57.56 | 0 | 7 | -1 | 86 | 414.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 8.02 | -64.24 | 1 | 7 | 1 | 81 | 416.523 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 7.33 | -52.51 | 2 | 7 | 1 | 84 | 416.523 | 7 | ↓ |
