| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 33 | 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) | 3.99 | 10.4 | -62.25 | 0 | 6 | -1 | 73 | 447.555 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 12.66 | -74.42 | 1 | 6 | 0 | 74 | 448.563 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 11.78 | -50.65 | 2 | 6 | 1 | 71 | 449.571 | 7 | ↓ |
