| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 30 | 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) | 3.58 | 7.94 | -42.94 | 2 | 6 | 1 | 67 | 409.506 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 6.35 | -44.47 | 0 | 6 | -1 | 69 | 407.49 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 5.59 | -8.82 | 1 | 6 | 0 | 66 | 408.498 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 8.71 | -54.74 | 1 | 6 | 0 | 70 | 408.498 | 5 | ↓ |
