| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 33 | Yes |
| 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) | 5.20 | 8.3 | -14.09 | 3 | 7 | 0 | 99 | 449.551 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.97 | 8.63 | -59 | 1 | 7 | -1 | 98 | 448.543 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.97 | 8.64 | -51.72 | 1 | 7 | -1 | 98 | 448.543 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 9.31 | -44.25 | 2 | 7 | -1 | 102 | 448.543 | 8 | ↓ |
