| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 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) | 0.28 | 3.39 | -58.57 | 0 | 10 | -1 | 123 | 499.569 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 5.04 | -50.96 | 2 | 10 | 1 | 122 | 501.585 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 5.8 | -60.33 | 1 | 10 | 1 | 118 | 501.585 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 5.73 | -75.61 | 1 | 10 | 0 | 124 | 500.577 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 5.34 | -114.82 | 3 | 10 | 2 | 123 | 502.593 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.31 | 6.07 | -118.6 | 2 | 10 | 2 | 120 | 502.593 | 8 | ↓ |
