| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2006 | 40 | 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) | -5.97 | -19.58 | -284.63 | 21 | 18 | 4 | 338 | 589.64 | 10 | ↓ |
| Hi High (pH 8-9.5) | -5.97 | -20.4 | -122.39 | 19 | 18 | 2 | 335 | 587.624 | 10 | ↓ |
| Hi High (pH 8-9.5) | -5.97 | -20.85 | -65.19 | 18 | 18 | 1 | 334 | 586.616 | 10 | ↓ |
| Mid Mid (pH 6-8) | -5.97 | -20.01 | -215.94 | 20 | 18 | 3 | 337 | 588.632 | 10 | ↓ |
