| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 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) | 3.17 | 12.35 | -65 | 1 | 8 | 0 | 96 | 495.62 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 10.14 | -52.28 | 0 | 8 | -1 | 95 | 494.612 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 11.07 | -55.3 | 2 | 8 | 1 | 93 | 496.628 | 13 | ↓ |
