| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 31 | 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) | 1.94 | 3.13 | -68.91 | 2 | 8 | -1 | 119 | 491.314 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 4.05 | -125.74 | 1 | 8 | -2 | 122 | 490.306 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 2.37 | -22.25 | 3 | 8 | 0 | 117 | 492.322 | 9 | ↓ |
