| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | No |
None
| 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) | 2.46 | 3.93 | -9.79 | 3 | 3 | 0 | 54 | 227.189 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 3.99 | -34.39 | 4 | 3 | 1 | 52 | 228.197 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 3.6 | -6.25 | 3 | 3 | 0 | 51 | 227.189 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 3.8 | -117.36 | 5 | 3 | 2 | 57 | 229.205 | 1 | ↓ |
