| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 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) | 4.40 | 11.37 | -59.07 | 1 | 8 | -1 | 111 | 495.54 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 12.15 | -117.24 | 0 | 8 | -2 | 114 | 494.532 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.40 | 10.06 | -24.57 | 2 | 8 | 0 | 108 | 496.548 | 4 | ↓ |
