| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 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) | -5.04 | 4.85 | -129.49 | 3 | 10 | -2 | 176 | 386.316 | 4 | ↓ |
| Hi High (pH 8-9.5) | -5.04 | 5.78 | -183.84 | 2 | 10 | -3 | 179 | 385.308 | 4 | ↓ |
| Hi High (pH 8-9.5) | -5.04 | 6.39 | -101.77 | 3 | 10 | -2 | 183 | 386.316 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -5.04 | 2.99 | -87.64 | 4 | 10 | -1 | 173 | 387.324 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -5.04 | 2.86 | -77.93 | 4 | 10 | -1 | 173 | 387.324 | 4 | ↓ |
