| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 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) | 3.45 | 9.68 | -35.32 | 1 | 7 | 0 | 75 | 447.535 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 7.34 | -46.75 | 0 | 7 | -1 | 74 | 446.527 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 9.79 | -55.56 | 1 | 7 | 0 | 75 | 447.535 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 9.17 | -56.66 | 2 | 7 | 1 | 72 | 448.543 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 6.84 | -12.93 | 1 | 7 | 0 | 71 | 447.535 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 9.05 | -60.09 | 2 | 7 | 1 | 72 | 448.543 | 5 | ↓ |
