| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 12 | No |
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) | 0.77 | -1.07 | -34.53 | 5 | 4 | 1 | 78 | 187.606 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | -0.14 | -37.67 | 3 | 4 | -1 | 82 | 185.59 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | -0.35 | -41.93 | 3 | 4 | -1 | 82 | 185.59 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | -0.08 | -36.97 | 4 | 4 | 0 | 81 | 186.598 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | -0.91 | -6.52 | 4 | 4 | 0 | 79 | 186.598 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | -1.18 | -37.28 | 5 | 4 | 1 | 80 | 187.606 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | -1.09 | -34.34 | 5 | 4 | 1 | 80 | 187.606 | 1 | ↓ |
