| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 25 | 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) | 6.55 | 7.79 | -9.32 | 2 | 4 | 0 | 65 | 393.295 | 3 | ↓ |
| Hi High (pH 8-9.5) | 7.01 | 7.47 | -98.19 | 0 | 4 | -2 | 71 | 391.279 | 3 | ↓ |
| Hi High (pH 8-9.5) | 7.01 | 6.78 | -98.95 | 0 | 4 | -2 | 71 | 391.279 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.55 | 8.55 | -42.45 | 1 | 4 | -1 | 68 | 392.287 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.55 | 8.97 | -42.71 | 1 | 4 | -1 | 68 | 392.287 | 3 | ↓ |
