| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 27 | 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) | 1.49 | 1.85 | -47.35 | 1 | 8 | -1 | 114 | 367.337 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 2.65 | -101.46 | 0 | 8 | -2 | 117 | 366.329 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 3.62 | -13.88 | 2 | 8 | 0 | 111 | 368.345 | 4 | ↓ |
