| 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) | 3.56 | 11.91 | -76.94 | 1 | 7 | 0 | 82 | 466.969 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 13.04 | -86.12 | 3 | 7 | 2 | 81 | 468.985 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 12.61 | -45.73 | 2 | 7 | 1 | 79 | 467.977 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 0.82 | -54 | 1 | 7 | 1 | 76 | 467.977 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 1.02 | -82.95 | 2 | 7 | 2 | 77 | 468.985 | 7 | ↓ |
