| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 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) | 3.67 | 11.22 | -58.74 | 0 | 6 | -1 | 83 | 439.491 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 1.03 | -13.72 | 1 | 6 | 0 | 79 | 440.499 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 0.41 | -13.04 | 0 | 6 | 0 | 76 | 440.499 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 10.97 | -38.78 | 2 | 6 | 1 | 81 | 441.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 0.52 | -44.25 | 1 | 6 | 1 | 77 | 441.507 | 8 | ↓ |
