| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 25 | 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) | 3.76 | 9.75 | -9.41 | 1 | 5 | 0 | 63 | 418.316 | 5 | ↓ |
| Ref Reference (pH 7) | 3.76 | 9.78 | -9.88 | 1 | 5 | 0 | 63 | 418.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 8.71 | -44.21 | 0 | 5 | -1 | 65 | 417.308 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.29 | 9.95 | -33.39 | 2 | 5 | 1 | 65 | 419.324 | 6 | ↓ |
