| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2006 | 31 | 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 | 8.15 | -60.44 | 0 | 7 | -1 | 88 | 424.473 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 0.95 | -14.3 | 0 | 7 | 0 | 82 | 425.481 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 7.33 | -17.6 | 1 | 7 | 0 | 85 | 425.481 | 9 | ↓ |
