| 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 | 13.11 | -19.45 | 2 | 6 | 0 | 80 | 465.553 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.25 | 11.39 | -13.94 | 1 | 6 | 0 | 81 | 465.553 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.25 | 12.27 | -14.53 | 1 | 6 | 0 | 81 | 465.553 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.07 | 12.41 | -32.17 | 2 | 6 | 1 | 82 | 466.561 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 11.16 | -31.76 | 2 | 6 | 1 | 82 | 466.561 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 12.04 | -37.52 | 2 | 6 | 1 | 82 | 466.561 | 5 | ↓ |
