| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 28 | 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) | 4.11 | 8.6 | -26.91 | 1 | 5 | 0 | 61 | 419.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 6.19 | -37.48 | 0 | 5 | -1 | 60 | 418.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 8.81 | -44.57 | 1 | 5 | 0 | 61 | 419.308 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 7.87 | -43.09 | 2 | 5 | 1 | 58 | 420.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 5.87 | -6.74 | 1 | 5 | 0 | 57 | 419.308 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 7.8 | -45.04 | 2 | 5 | 1 | 58 | 420.316 | 3 | ↓ |
