| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 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) | 3.55 | 9.46 | -63.17 | 3 | 7 | 1 | 89 | 458.482 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 7.2 | -20.94 | 2 | 7 | 0 | 88 | 457.474 | 9 | ↓ |
