| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 28 | 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) | 3.65 | 3.81 | -47.15 | 1 | 7 | -1 | 104 | 444.261 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 4.73 | -99.18 | 0 | 7 | -2 | 107 | 443.253 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 6.47 | -12.07 | 2 | 7 | 0 | 101 | 445.269 | 3 | ↓ |
