| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 24 | 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) | 4.70 | 4.45 | -10.63 | 3 | 5 | 0 | 86 | 360.822 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.16 | 2.71 | -46.48 | 2 | 5 | -1 | 89 | 359.814 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.70 | 5.54 | -43.17 | 2 | 5 | -1 | 89 | 359.814 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 5.47 | -95.97 | 1 | 5 | -2 | 87 | 358.806 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.16 | 2.08 | -47.88 | 2 | 5 | -1 | 89 | 359.814 | 2 | ↓ |
