| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 28 | 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) | 4.02 | 10.3 | -66.05 | 3 | 6 | 1 | 72 | 387.548 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 7.85 | -17.94 | 2 | 6 | 0 | 70 | 386.54 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.02 | 10.73 | -117.53 | 4 | 6 | 2 | 73 | 388.556 | 9 | ↓ |
