| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 30 | 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) | 2.08 | 8.16 | -18.78 | 2 | 9 | 0 | 114 | 401.43 | 5 | ↓ |
| Ref Reference (pH 7) | 1.89 | 10.92 | -17.15 | 2 | 9 | 0 | 111 | 401.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 7.66 | -51.19 | 1 | 9 | -1 | 112 | 400.422 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 10.42 | -45.57 | 1 | 9 | -1 | 109 | 400.422 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 10.89 | -16.46 | 2 | 9 | 0 | 111 | 401.43 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 8.13 | -17.17 | 2 | 9 | 0 | 114 | 401.43 | 5 | ↓ |
