| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 33 | Yes |
| 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) | 3.74 | 5.33 | -16.5 | 3 | 8 | 0 | 108 | 471.941 | 8 | ↓ |
| Ref Reference (pH 7) | 3.74 | 5.2 | -14.19 | 3 | 8 | 0 | 108 | 471.941 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 5.71 | -53.51 | 1 | 8 | -1 | 107 | 470.933 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 5.57 | -48.01 | 1 | 8 | -1 | 107 | 470.933 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 6.1 | -41.03 | 2 | 8 | -1 | 111 | 470.933 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 5.97 | -51.95 | 2 | 8 | -1 | 111 | 470.933 | 8 | ↓ |
