| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 33 | 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) | 1.95 | 10.5 | -45.05 | 3 | 10 | 1 | 106 | 458.587 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 8.12 | -11.52 | 2 | 10 | 0 | 105 | 457.579 | 8 | ↓ |
