| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 33 | 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) | 3.90 | 10.25 | -60.17 | 0 | 6 | -1 | 83 | 459.909 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | -0.18 | -14.29 | 0 | 6 | 0 | 76 | 460.917 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 9.75 | -17.68 | 1 | 6 | 0 | 80 | 460.917 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | 10.04 | -40.04 | 2 | 6 | 1 | 81 | 461.925 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | -0.07 | -39.41 | 1 | 6 | 1 | 77 | 461.925 | 8 | ↓ |
