| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 31 | Yes |
| 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) | 3.94 | 10.8 | -57.3 | 2 | 5 | 1 | 49 | 424.609 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 10.01 | -11.34 | 1 | 5 | 0 | 45 | 423.601 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 11.76 | -39.73 | 2 | 5 | 1 | 46 | 424.609 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | 13.09 | -136.07 | 3 | 5 | 2 | 51 | 425.617 | 9 | ↓ |
