| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2009 | 36 | 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) | 3.03 | 10.35 | -72.08 | 1 | 9 | 0 | 106 | 494.544 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 7.8 | -58.09 | 0 | 9 | -1 | 105 | 493.536 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 9.39 | -53.27 | 2 | 9 | 1 | 103 | 495.552 | 9 | ↓ |
