| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 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) | 3.78 | 7.31 | -51.71 | 2 | 8 | -1 | 114 | 469.521 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 7.59 | -66.49 | 3 | 8 | 0 | 115 | 470.529 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 7.5 | -65.96 | 3 | 8 | 0 | 115 | 470.529 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 10.14 | -38.55 | 4 | 8 | 0 | 112 | 471.537 | 7 | ↓ |
