| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 39 | 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) | 3.36 | 9.45 | -62.95 | 0 | 8 | -1 | 95 | 526.613 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 12.54 | -52.95 | 2 | 8 | 1 | 93 | 528.629 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 12.52 | -51.91 | 1 | 8 | 1 | 90 | 528.629 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 11.78 | -73.49 | 1 | 8 | 0 | 96 | 527.621 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 12.83 | -105.83 | 3 | 8 | 2 | 95 | 529.637 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.78 | 12.81 | -107.3 | 2 | 8 | 2 | 91 | 529.637 | 10 | ↓ |
