| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2010 | 31 | 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) | 3.22 | 8.38 | -29.88 | 2 | 11 | 0 | 156 | 497.609 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 4.78 | -104.67 | 0 | 11 | -2 | 168 | 495.593 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 6.23 | -53.77 | 1 | 11 | -1 | 162 | 496.601 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 6.93 | -60.95 | 1 | 11 | -1 | 162 | 496.601 | 9 | ↓ |
