| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 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) | 2.54 | 7.34 | -57.85 | 0 | 10 | -1 | 128 | 480.497 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 0.1 | -50.85 | 2 | 10 | 1 | 126 | 482.513 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | -0.33 | -54.82 | 1 | 10 | 1 | 123 | 482.513 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 9.67 | -72.82 | 1 | 10 | 0 | 129 | 481.505 | 9 | ↓ |
