| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 36 | 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) | 3.52 | 12.33 | -73.59 | 1 | 7 | 0 | 87 | 485.584 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 0.51 | -45.44 | 1 | 7 | 1 | 81 | 486.592 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 0.98 | -117.74 | 3 | 7 | 2 | 85 | 487.6 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.93 | 0.62 | -109.86 | 2 | 7 | 2 | 82 | 487.6 | 10 | ↓ |
