| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 32 | 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) | 3.18 | 10.93 | -56.15 | 0 | 8 | -1 | 119 | 448.842 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 10.22 | -23.42 | 1 | 8 | 0 | 116 | 449.85 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 10.53 | -50.92 | 2 | 8 | 1 | 118 | 450.858 | 5 | ↓ |
