| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | 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) | 1.20 | 6.34 | -33.61 | 2 | 4 | 1 | 37 | 296.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 5.53 | -43.39 | 2 | 4 | 1 | 40 | 296.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 4.33 | -7.9 | 1 | 4 | 0 | 36 | 295.452 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 7.59 | -117.27 | 3 | 4 | 2 | 41 | 297.468 | 5 | ↓ |
