| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 32 | No |
None
None
| 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) | 3.02 | 5.7 | -47.39 | 5 | 8 | 1 | 115 | 480.01 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 1.93 | -49.91 | 3 | 8 | -1 | 120 | 477.994 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 3.47 | -20.85 | 4 | 8 | 0 | 114 | 479.002 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 4.15 | -34.84 | 4 | 8 | 0 | 121 | 479.002 | 8 | ↓ |
