| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 29 | 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) | 2.89 | 6.37 | -62.12 | 1 | 6 | -1 | 90 | 459.316 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | -3.58 | -26.77 | 2 | 6 | 0 | 87 | 460.324 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | -3.37 | -16.21 | 1 | 6 | 0 | 83 | 460.324 | 8 | ↓ |
