| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 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) | 3.00 | 8.57 | -64.34 | 0 | 8 | -1 | 90 | 493.971 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 11.49 | -48.23 | 2 | 8 | 1 | 89 | 495.987 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 11.34 | -56.93 | 1 | 8 | 1 | 85 | 495.987 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 11.35 | -89.81 | 3 | 8 | 2 | 90 | 496.995 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 11.77 | -87.94 | 2 | 8 | 2 | 87 | 496.995 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 10.9 | -75.46 | 1 | 8 | 0 | 91 | 494.979 | 7 | ↓ |
