| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 34 | No |
| 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) | 5.46 | 6.16 | -15.47 | 4 | 6 | 0 | 106 | 452.51 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.46 | 7.08 | -50.05 | 3 | 6 | -1 | 108 | 451.502 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.46 | 5.99 | -49.93 | 3 | 6 | -1 | 108 | 451.502 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.46 | 7.08 | -55.86 | 3 | 6 | -1 | 108 | 451.502 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.46 | 6.63 | -41.8 | 5 | 6 | 1 | 107 | 453.518 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.46 | 6.59 | -44.2 | 5 | 6 | 1 | 107 | 453.518 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.46 | 5.65 | -45.19 | 5 | 6 | 1 | 107 | 453.518 | 7 | ↓ |
