| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2009 | 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) | -1.58 | 1.65 | -59.55 | 3 | 7 | -1 | 119 | 339.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.58 | 1.1 | -50.07 | 4 | 7 | 0 | 123 | 340.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.39 | -0.72 | -132.44 | 2 | 7 | -2 | 125 | 338.319 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.39 | -0.64 | -84.15 | 3 | 7 | -1 | 129 | 339.327 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.58 | 2.98 | -48.89 | 4 | 7 | 0 | 123 | 340.335 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.39 | 0.61 | -81.65 | 3 | 7 | -1 | 129 | 339.327 | 3 | ↓ |
