| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 32 | Yes |
| 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) | 3.12 | 11.46 | -70.06 | 1 | 8 | -1 | 104 | 444.483 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 9.46 | -18.27 | 2 | 8 | 0 | 101 | 445.491 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | 8.23 | -35.21 | 2 | 8 | 0 | 107 | 445.491 | 5 | ↓ |
