| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 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) | 2.80 | 7.05 | -55.65 | 5 | 6 | 1 | 90 | 394.495 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 6.41 | -58.78 | 3 | 6 | -1 | 91 | 392.479 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 5.19 | -16.9 | 4 | 6 | 0 | 89 | 393.487 | 9 | ↓ |
