| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 34 | 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) | 1.71 | 14.17 | -48.31 | 3 | 9 | 1 | 103 | 463.562 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 10.42 | -57.05 | 1 | 9 | -1 | 108 | 461.546 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 11.96 | -11.17 | 2 | 9 | 0 | 101 | 462.554 | 7 | ↓ |
