| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 35 | 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) | 5.11 | 13.12 | -19.46 | 2 | 6 | 0 | 80 | 465.553 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.25 | 11.05 | -19.12 | 1 | 6 | 0 | 81 | 465.553 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.25 | 11.87 | -33.47 | 1 | 6 | 0 | 81 | 465.553 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 10.82 | -33.25 | 2 | 6 | 1 | 82 | 466.561 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 11.63 | -51.25 | 2 | 6 | 1 | 82 | 466.561 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.07 | 12.75 | -29.7 | 2 | 6 | 1 | 82 | 466.561 | 5 | ↓ |
