| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 33 | 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) | 3.02 | 7.19 | -77.75 | 2 | 8 | 0 | 104 | 519.392 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 8.11 | -108.27 | 1 | 8 | -1 | 106 | 518.384 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 6.45 | -53.25 | 3 | 8 | 1 | 101 | 520.4 | 9 | ↓ |
