| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 30 | 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) | 0.33 | 3.75 | -69.54 | 1 | 10 | -1 | 149 | 412.378 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | -3.24 | -23.89 | 2 | 10 | 0 | 145 | 413.386 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | -3.67 | -19.92 | 1 | 10 | 0 | 142 | 413.386 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 3.78 | -71.89 | 3 | 10 | 1 | 147 | 414.394 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.25 | -3.55 | -55.37 | 2 | 10 | 1 | 143 | 414.394 | 9 | ↓ |
