| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 37 | 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) | 4.33 | 11.28 | -73.7 | 2 | 7 | 0 | 94 | 500.595 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 9.09 | -65.19 | 1 | 7 | -1 | 93 | 499.587 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 10.47 | -52.53 | 3 | 7 | 1 | 92 | 501.603 | 11 | ↓ |
