| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 31 | 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) | 2.50 | 3.03 | -50.1 | 0 | 9 | -1 | 112 | 425.417 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 5.59 | -12.28 | 1 | 9 | 0 | 109 | 426.425 | 7 | ↓ |
