| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 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) | 3.62 | 9.87 | -61.82 | 1 | 7 | -1 | 103 | 471.533 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 8.56 | -27.33 | 2 | 7 | 0 | 100 | 472.541 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 9.79 | -20.22 | 1 | 7 | 0 | 97 | 472.541 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | 8.84 | -66.6 | 3 | 7 | 1 | 101 | 473.549 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 10.07 | -62.55 | 2 | 7 | 1 | 98 | 473.549 | 8 | ↓ |
