| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 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) | 1.53 | 2.28 | -56.44 | 2 | 8 | -1 | 123 | 451.249 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 3.2 | -109.28 | 1 | 8 | -2 | 126 | 450.241 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 1.39 | -13 | 3 | 8 | 0 | 120 | 452.257 | 6 | ↓ |
