| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2011 | 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) | 4.71 | 13.66 | -118.52 | 4 | 4 | 2 | 67 | 588.478 | 15 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 10.99 | -10.4 | 2 | 4 | 0 | 58 | 586.462 | 15 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 12.33 | -55.01 | 3 | 4 | 1 | 63 | 587.47 | 15 | ↓ |
