| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 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) | 5.72 | 13.85 | -65.8 | 1 | 7 | 0 | 87 | 504.627 | 13 | ↓ |
| Hi High (pH 8-9.5) | 5.72 | 11.52 | -58.09 | 0 | 7 | -1 | 86 | 503.619 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 5.72 | 13.04 | -45.52 | 2 | 7 | 1 | 84 | 505.635 | 13 | ↓ |
