| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 33 | 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) | 3.45 | 8.52 | -41.71 | 2 | 7 | 1 | 72 | 448.543 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 7.02 | -47.05 | 0 | 7 | -1 | 74 | 446.527 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 8.51 | -43.04 | 2 | 7 | 1 | 72 | 448.543 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 6.26 | -11.27 | 1 | 7 | 0 | 71 | 447.535 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 9.27 | -29.53 | 1 | 7 | 0 | 75 | 447.535 | 5 | ↓ |
