| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 30 | 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) | 4.13 | 8.87 | -14.59 | 2 | 7 | 0 | 92 | 509.813 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 7.82 | -44.41 | 1 | 7 | -1 | 94 | 508.805 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.13 | 8.94 | -40.53 | 3 | 7 | 1 | 94 | 510.821 | 6 | ↓ |
