| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 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) | 3.48 | 9.47 | -80.19 | 2 | 7 | 0 | 94 | 452.551 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 6.95 | -62.84 | 1 | 7 | -1 | 93 | 451.543 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | -0.28 | -46.63 | 2 | 7 | 1 | 88 | 453.559 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 8.71 | -44.51 | 3 | 7 | 1 | 92 | 453.559 | 8 | ↓ |
