| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 41 | 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) | 4.03 | 11.17 | -68.93 | 1 | 9 | 0 | 111 | 583.751 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 8.9 | -58.63 | 0 | 9 | -1 | 110 | 582.743 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 10.42 | -53.83 | 2 | 9 | 1 | 109 | 584.759 | 11 | ↓ |
