| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2008 | 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) | 4.14 | 8.62 | -12.93 | 2 | 7 | 0 | 119 | 445.567 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 10.03 | -115.54 | 3 | 7 | 2 | 120 | 447.583 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 8.45 | -52.03 | 3 | 7 | 1 | 121 | 446.575 | 8 | ↓ |
