| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2006 | 26 | 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) | 2.63 | 10.32 | -15.56 | 1 | 9 | 0 | 119 | 375.41 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 10.06 | -40.21 | 0 | 9 | -1 | 120 | 374.402 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 10.39 | -33.55 | 2 | 9 | 1 | 124 | 376.418 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 7.49 | -10.64 | 1 | 5 | 0 | 59 | 356.397 | 3 | ↓ |
