| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 16 | 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) | 0.47 | 2.9 | -77.67 | 5 | 5 | 2 | 72 | 225.292 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | 0.53 | -10.23 | 3 | 5 | 0 | 71 | 223.276 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | 0.33 | -7.77 | 3 | 5 | 0 | 71 | 223.276 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 0.37 | -32.01 | 4 | 5 | 1 | 70 | 224.284 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.34 | 2.89 | -77.57 | 5 | 5 | 2 | 74 | 225.292 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.34 | 2.8 | -78.43 | 5 | 5 | 2 | 74 | 225.292 | 5 | ↓ |
