| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 36 | 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) | 3.02 | 5.73 | -66.7 | 1 | 9 | -1 | 112 | 495.552 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.75 | -133.18 | 0 | 9 | -2 | 114 | 494.544 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.07 | -80.31 | 2 | 9 | 0 | 113 | 496.56 | 9 | ↓ |
