| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 37 | 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) | 3.31 | 9.49 | -44.28 | 0 | 9 | -1 | 114 | 514.539 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 8.1 | -29.79 | 1 | 9 | 0 | 111 | 515.547 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 9.06 | -23.63 | 0 | 9 | 0 | 108 | 515.547 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 8.39 | -60.59 | 2 | 9 | 1 | 112 | 516.555 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 9.35 | -51.64 | 1 | 9 | 1 | 109 | 516.555 | 6 | ↓ |
