| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 32 | 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) | 4.48 | 12.09 | -68.53 | 1 | 6 | 0 | 78 | 432.52 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 9.54 | -59.37 | 0 | 6 | -1 | 77 | 431.512 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 11.27 | -45.7 | 2 | 6 | 1 | 75 | 433.528 | 7 | ↓ |
