| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 31 | Yes |
| 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) | 2.84 | 9.72 | -48.21 | 4 | 9 | 1 | 104 | 424.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 8.8 | -19.48 | 3 | 9 | 0 | 105 | 423.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 9.77 | -46.22 | 4 | 9 | 1 | 107 | 424.481 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 10.22 | -117.23 | 5 | 9 | 2 | 108 | 425.489 | 5 | ↓ |
