| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2006 | 31 | 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) | 3.70 | 10.92 | -66.45 | 0 | 7 | -1 | 96 | 417.441 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 2.24 | -26.62 | 1 | 7 | 0 | 92 | 418.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 2.1 | -14.72 | 0 | 7 | 0 | 89 | 418.449 | 6 | ↓ |
