| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 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) | 2.77 | 7.61 | -64.06 | 0 | 8 | -1 | 85 | 478.569 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 9.86 | -77.93 | 1 | 8 | 0 | 87 | 479.577 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 9.1 | -57.2 | 2 | 8 | 1 | 84 | 480.585 | 9 | ↓ |
