| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 38 | 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) | 5.17 | 13.15 | -66.64 | 1 | 7 | 0 | 87 | 531.678 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 11.37 | -57.94 | 0 | 7 | -1 | 86 | 530.67 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 12.78 | -48.12 | 2 | 7 | 1 | 84 | 532.686 | 12 | ↓ |
